SPARTAN '14 CONFORMATION SEARCH:   (Win/64b)                      Release  1.1.4


 Conformation Search


 Initializing 4 threads

  Reason for exit: Successful completion 
  Conformer Program CPU Time :          .30
  Conformer Program Wall Time:          .07

SPARTAN '14 Quantum Mechanics Driver:  (Win/64b)         Release  1.1.4

Job type: Geometry optimization.
Method: RB3LYP
Basis set: 6-31G(D)
Number of shells: 56
Number of basis functions: 193
Multiplicity: 1
Parallel Job: 4 threads

SCF model:
 A restricted hybrid HF-DFT SCF calculation will be
 performed using Pulay DIIS + Geometric Direct Minimization


Optimization:
         Step      Energy          Max Grad.      Max Dist. 
            1    -3142.565000       0.021451       0.063146
            2    -3142.566219       0.005000       0.010720
            3    -3142.566329       0.001320       0.005496
            4    -3142.566339       0.000640       0.001532
            5    -3142.566341       0.000077       0.000403
            6    -3142.566341       0.000013       0.000165
            7    -3142.566341       0.000003       0.000060

<step 2>
Job type: Frequency calculation.
Method: RB3LYP
Basis set: 6-31G(D)

<step 3>
Job type: Single point.
Method: RB3LYP
Basis set: 6-31G(D)
 SCF total energy:   -3142.5663410 hartrees


  NMR shifts (ppm)
       Atom     Isotropic        Rel. Shift 
  ---------------------------------------------------
     1   *C1      50.7941          138.83
     2   *C4      64.1012          125.53
     3    C2      63.9735          125.65
     4   *C2      63.9735          125.65
     5   *C3      68.6792          120.95
     6    C3      68.6792          120.95
     7    H2      24.8868            7.30
     8   *H2      24.8868            7.30
     9   *H3      24.8117            7.37
    10    H3      24.8117            7.37
    11    C7      63.3782          126.25
    12    F1     273.5747          -93.43
    13    F2     248.4779          -68.34
    14    F3     273.5747          -93.43
    15   Br1    2066.9469 

<step 4>
Job type: Molecular property calculation.
Method: RB3LYP
Basis set: 6-31G(D)
 SCF total energy:   -3142.5663410 hartrees
  Average polarizability
      static      86.49082 
      (more detail in verbose output)

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :     50:25.28
  Quantum Calculation Wall Time:     58:12.93


SPARTAN '14 Semi-Empirical Program:  (Win/64b)           Release  1.1.4        
    Semi-empirical Property Calculation 

  M0001                                                                      

  Guess from Archive
    
  Energy Due to Solvation
   Solvation Energy SM5.4/A          1.983
  Memory Used:         882.13 Kb
   

  Reason for exit: Successful completion 
  Semi-Empirical Program CPU Time :          .33
  Semi-Empirical Program Wall Time:          .03



Spartan '14 QSAR Program V1.0

Computing Surfaces...
Surface computation Wall Time: 000:00:04.5
Surface computation CPU Time: 000:00:04.5

Computing QSAR Properties...

QSAR CPU Time:  000:00:00.7
QSAR Wall Time: 000:00:05.2


SPARTAN '14 Properties Program:  (Win/64b)                     Release  1.1.4  
  Model: B3LYP/6- 

 pruning verbose output file
  Number of shells:   56
    19 S shells
    24 SP shells
    13 6D shells
  Number of basis functions:   193
  Molecular charge:   0
  Spin multiplicity:  1
  Electrons:         108
  Use of molecular symmetry enabled

                     Cartesian Coordinates (Angstroms)
       Atom            X             Y             Z     
    ---------    ------------- ------------- -------------

  1 C  *C1         -1.3227849    -0.0083397     0.0000000
  2 C  *C4          1.4510080    -0.0389715     0.0000000
  3 C  C2          -0.6405693    -0.0167970    -1.2162091
  4 C  *C2         -0.6405693    -0.0167970     1.2162091
  5 C  *C3          0.7531592    -0.0316414     1.2101267
  6 C  C3           0.7531592    -0.0316414    -1.2101267
  7 H  H2          -1.1865759    -0.0151035    -2.1528985
  8 H  *H2         -1.1865759    -0.0151035     2.1528985
  9 H  *H3          1.2961682    -0.0456871     2.1492949
 10 H  H3           1.2961682    -0.0456871    -2.1492949
 11 C  C7           2.9553822     0.0034546     0.0000000
 12 F  F1           3.4742668    -0.6026831    -1.0904332
 13 F  F2           3.4181841     1.2752754     0.0000000
 14 F  F3           3.4742668    -0.6026831     1.0904332
 15 Br Br1         -3.2392101     0.0096229     0.0000000

  Point Group = CS  Order =  1 Nsymop =  2

Molecular descriptors:

Molecular volume:       149.53 (Ang**3)
Surface area:           171.08 (Ang**2)

Ovality:                  1.256

Atomic weight:          225.012 g

E(HOMO):                 -0.2616
E(LUMO):                 -0.0413

Electronegativity:        0.15
Hardness:                 0.11

Est. polarizability:     52.086
Atom type for atom *C1 (1) is 26  ( -0.00640 )
Atom type for atom *C4 (2) is 25  (  0.15960 )
Atom type for atom C2 (3) is 24  ( -0.02200 )
Atom type for atom *C2 (4) is 24  ( -0.02200 )
Atom type for atom *C3 (5) is 24  ( -0.02200 )
Atom type for atom C3 (6) is 24  ( -0.02200 )
Atom type for atom H2 (7) is 47  (  0.36100 )
Atom type for atom *H2 (8) is 47  (  0.36100 )
Atom type for atom *H3 (9) is 47  (  0.36100 )
Atom type for atom H3 (10) is 47  (  0.36100 )
Atom type for atom C7 (11) is 13  (  0.53350 )
Atom type for atom F1 (12) is 83  (  0.18900 )
Atom type for atom F2 (13) is 83  (  0.18900 )
Atom type for atom F3 (14) is 83  (  0.18900 )
Atom type for atom Br1 (15) is 94  (  1.17430 )

LogP (Ghose-Crippen):     3.78

  Closed-Shell Molecular Orbital Coefficients
  MO:                   1          2          3          4          5    
  Eigenvalues:    -482.87418  -62.53242  -56.35360  -56.34988  -56.34976
          (ev)    -13139.68060 -1701.59451 -1533.46008 -1533.35888 -1533.35575

                       A'         A'         A'         A'         A"     
   1 *C1   S1        0.00000   -0.00000    0.00002    0.00000    0.00000
   2 *C1   S         0.00001   -0.00000   -0.00012    0.00000    0.00000
   3 *C1   PX        0.00000   -0.00000    0.00017   -0.00000    0.00000
   4 *C1   PY       -0.00000    0.00000   -0.00000    0.00001    0.00000
   5 *C1   PZ        0.00000    0.00000    0.00000    0.00000   -0.00007
   6 *C1   S'       -0.00001    0.00012   -0.00272   -0.00000    0.00000
   7 *C1   PX'       0.00005    0.00011   -0.00413   -0.00000    0.00000
   8 *C1   PY'      -0.00000   -0.00000    0.00004    0.00001    0.00000
   9 *C1   PZ'       0.00000    0.00000    0.00000    0.00000    0.00255
  10 *C1   DXX      -0.00002   -0.00001    0.00036   -0.00000    0.00000
  11 *C1   DYY      -0.00000   -0.00000    0.00000    0.00000    0.00000
  12 *C1   DZZ      -0.00000   -0.00000   -0.00007    0.00000    0.00000
  13 *C1   DXY       0.00000    0.00000   -0.00000   -0.00003    0.00000
  14 *C1   DXZ       0.00000    0.00000    0.00000    0.00000    0.00007
  15 *C1   DYZ       0.00000    0.00000    0.00000    0.00000   -0.00000
  16 *C4   S1       -0.00000    0.00000   -0.00002   -0.00000    0.00000
  17 *C4   S        -0.00000    0.00000   -0.00011   -0.00000    0.00000
  18 *C4   PX       -0.00000   -0.00000    0.00004    0.00000    0.00000
  19 *C4   PY        0.00000   -0.00000   -0.00000    0.00000    0.00000
  20 *C4   PZ        0.00000    0.00000    0.00000    0.00000    0.00000
  21 *C4   S'        0.00002   -0.00008    0.00188    0.00002    0.00000
  22 *C4   PX'      -0.00000    0.00007   -0.00175    0.00003    0.00000
  23 *C4   PY'       0.00000   -0.00000    0.00003   -0.00004    0.00000
  24 *C4   PZ'       0.00000    0.00000    0.00000   -0.00000   -0.00091
  25 *C4   DXX       0.00000    0.00000   -0.00002    0.00000    0.00000
  26 *C4   DYY       0.00000    0.00000   -0.00004   -0.00000    0.00000
  27 *C4   DZZ       0.00000   -0.00000    0.00003    0.00000    0.00000
  28 *C4   DXY       0.00000   -0.00000    0.00000    0.00000    0.00000
  29 *C4   DXZ       0.00000    0.00000    0.00000    0.00000    0.00003
  30 *C4   DYZ       0.00000    0.00000    0.00000    0.00000   -0.00000
  31 C2    S1       -0.00000    0.00000   -0.00003   -0.00000   -0.00002
  32 C2    S        -0.00000    0.00001   -0.00016   -0.00000   -0.00013
  33 C2    PX        0.00000    0.00000   -0.00010   -0.00000    0.00002
  34 C2    PY        0.00000   -0.00000    0.00000    0.00003   -0.00000
  35 C2    PZ       -0.00000   -0.00000    0.00002   -0.00000   -0.00000
  36 C2    S'       -0.00000   -0.00014    0.00346    0.00000    0.00144
  37 C2    PX'      -0.00001   -0.00008    0.00203    0.00000   -0.00132
  38 C2    PY'       0.00000    0.00000   -0.00001   -0.00010    0.00002
  39 C2    PZ'      -0.00000   -0.00006    0.00211    0.00000    0.00110
  40 C2    DXX       0.00000   -0.00000    0.00000    0.00000    0.00000
  41 C2    DYY      -0.00000    0.00000   -0.00004   -0.00000   -0.00005
  42 C2    DZZ       0.00000    0.00000    0.00003   -0.00000    0.00003
  43 C2    DXY      -0.00000    0.00000   -0.00000    0.00001   -0.00000
  44 C2    DXZ      -0.00000   -0.00000    0.00000   -0.00000   -0.00005
  45 C2    DYZ       0.00000    0.00000    0.00000   -0.00000    0.00000
  46 *C2   S1       -0.00000    0.00000   -0.00003   -0.00000    0.00002
  47 *C2   S        -0.00000    0.00001   -0.00016   -0.00000    0.00013
  48 *C2   PX        0.00000    0.00000   -0.00010   -0.00000   -0.00002
  49 *C2   PY        0.00000   -0.00000    0.00000    0.00003    0.00000
  50 *C2   PZ        0.00000    0.00000   -0.00002    0.00000   -0.00000
  51 *C2   S'       -0.00000   -0.00014    0.00346    0.00000   -0.00144
  52 *C2   PX'      -0.00001   -0.00008    0.00203    0.00000    0.00132
  53 *C2   PY'       0.00000    0.00000   -0.00001   -0.00010   -0.00002
  54 *C2   PZ'       0.00000    0.00006   -0.00211   -0.00000    0.00110
  55 *C2   DXX       0.00000   -0.00000    0.00000    0.00000   -0.00000
  56 *C2   DYY      -0.00000    0.00000   -0.00004   -0.00000    0.00005
  57 *C2   DZZ       0.00000    0.00000    0.00003   -0.00000   -0.00003
  58 *C2   DXY      -0.00000    0.00000   -0.00000    0.00001    0.00000
  59 *C2   DXZ       0.00000    0.00000   -0.00000    0.00000   -0.00005
  60 *C2   DYZ      -0.00000   -0.00000   -0.00000    0.00000    0.00000
  61 *C3   S1        0.00000   -0.00000    0.00002   -0.00000   -0.00001
  62 *C3   S         0.00000   -0.00001    0.00013   -0.00000   -0.00002
  63 *C3   PX       -0.00000   -0.00000    0.00006   -0.00000   -0.00000
  64 *C3   PY       -0.00000   -0.00000    0.00000   -0.00001    0.00000
  65 *C3   PZ       -0.00000   -0.00000    0.00002    0.00000    0.00002
  66 *C3   S'       -0.00000    0.00014   -0.00321    0.00000    0.00001
  67 *C3   PX'       0.00000   -0.00005    0.00121   -0.00000    0.00062
  68 *C3   PY'       0.00000    0.00000   -0.00002    0.00006   -0.00001
  69 *C3   PZ'       0.00001   -0.00005    0.00118   -0.00001   -0.00071
  70 *C3   DXX      -0.00000    0.00000   -0.00004   -0.00000   -0.00001
  71 *C3   DYY       0.00000   -0.00000    0.00002   -0.00000   -0.00001
  72 *C3   DZZ       0.00000   -0.00000   -0.00000    0.00000    0.00001
  73 *C3   DXY       0.00000   -0.00000    0.00000   -0.00001   -0.00000
  74 *C3   DXZ      -0.00000    0.00000    0.00000    0.00000   -0.00001
  75 *C3   DYZ      -0.00000   -0.00000    0.00000   -0.00000    0.00000
  76 C3    S1        0.00000   -0.00000    0.00002   -0.00000    0.00001
  77 C3    S         0.00000   -0.00001    0.00013   -0.00000    0.00002
  78 C3    PX       -0.00000   -0.00000    0.00006   -0.00000    0.00000
  79 C3    PY       -0.00000   -0.00000    0.00000   -0.00001   -0.00000
  80 C3    PZ        0.00000    0.00000   -0.00002   -0.00000    0.00002
  81 C3    S'       -0.00000    0.00014   -0.00321    0.00000   -0.00001
  82 C3    PX'       0.00000   -0.00005    0.00121   -0.00000   -0.00062
  83 C3    PY'       0.00000    0.00000   -0.00002    0.00006    0.00001
  84 C3    PZ'      -0.00001    0.00005   -0.00118    0.00001   -0.00071
  85 C3    DXX      -0.00000    0.00000   -0.00004   -0.00000    0.00001
  86 C3    DYY       0.00000   -0.00000    0.00002   -0.00000    0.00001
  87 C3    DZZ       0.00000   -0.00000   -0.00000    0.00000   -0.00001
  88 C3    DXY       0.00000   -0.00000    0.00000   -0.00001    0.00000
  89 C3    DXZ       0.00000   -0.00000   -0.00000   -0.00000   -0.00001
  90 C3    DYZ       0.00000    0.00000   -0.00000    0.00000    0.00000
  91 H2    S        -0.00000   -0.00001    0.00014   -0.00000   -0.00008
  92 H2    S'       -0.00000   -0.00002    0.00090    0.00000    0.00017
  93 *H2   S        -0.00000   -0.00001    0.00014   -0.00000    0.00008
  94 *H2   S'       -0.00000   -0.00002    0.00090    0.00000   -0.00017
  95 *H3   S        -0.00000    0.00000   -0.00003    0.00000    0.00003
  96 *H3   S'       -0.00000    0.00001   -0.00033    0.00000    0.00011
  97 H3    S        -0.00000    0.00000   -0.00003    0.00000   -0.00003
  98 H3    S'       -0.00000    0.00001   -0.00033    0.00000   -0.00011
  99 C7    S1        0.00000   -0.00000    0.00000    0.00000    0.00000
 100 C7    S         0.00000    0.00000   -0.00002    0.00001    0.00000
 101 C7    PX       -0.00000    0.00000   -0.00002   -0.00000    0.00000
 102 C7    PY       -0.00000    0.00000   -0.00001   -0.00000    0.00000
 103 C7    PZ        0.00000    0.00000    0.00000    0.00000    0.00001
 104 C7    S'       -0.00001   -0.00003    0.00075   -0.00007    0.00000
 105 C7    PX'       0.00000    0.00001   -0.00022    0.00001    0.00000
 106 C7    PY'       0.00000    0.00001   -0.00010   -0.00000    0.00000
 107 C7    PZ'       0.00000    0.00000    0.00000    0.00000    0.00008
 108 C7    DXX      -0.00000   -0.00000    0.00002    0.00000    0.00000
 109 C7    DYY       0.00000   -0.00000    0.00002   -0.00000    0.00000
 110 C7    DZZ       0.00000   -0.00000    0.00002    0.00000    0.00000
 111 C7    DXY      -0.00000    0.00000   -0.00000   -0.00000    0.00000
 112 C7    DXZ       0.00000    0.00000    0.00000    0.00000   -0.00002
 113 C7    DYZ       0.00000    0.00000    0.00000    0.00000    0.00001
 114 F1    S1       -0.00000   -0.00000    0.00001   -0.00000   -0.00000
 115 F1    S        -0.00000   -0.00000    0.00007   -0.00001   -0.00001
 116 F1    PX        0.00000    0.00000   -0.00001    0.00000   -0.00000
 117 F1    PY       -0.00000   -0.00000    0.00000   -0.00000   -0.00000
 118 F1    PZ       -0.00000   -0.00000    0.00000   -0.00000    0.00000
 119 F1    S'        0.00000    0.00001   -0.00025    0.00003    0.00003
 120 F1    PX'      -0.00000   -0.00000    0.00003   -0.00000    0.00001
 121 F1    PY'       0.00000    0.00000   -0.00002    0.00000    0.00001
 122 F1    PZ'       0.00000    0.00000   -0.00004    0.00000   -0.00002
 123 F1    DXX      -0.00000   -0.00000    0.00005   -0.00000   -0.00001
 124 F1    DYY      -0.00000   -0.00000    0.00005   -0.00000   -0.00000
 125 F1    DZZ      -0.00000   -0.00000    0.00004   -0.00000   -0.00001
 126 F1    DXY      -0.00000   -0.00000    0.00001   -0.00000    0.00000
 127 F1    DXZ      -0.00000   -0.00000    0.00000    0.00000    0.00001
 128 F1    DYZ      -0.00000    0.00000   -0.00000    0.00000   -0.00000
 129 F2    S1       -0.00000    0.00000   -0.00000   -0.00000    0.00000
 130 F2    S        -0.00000    0.00000   -0.00001   -0.00001    0.00000
 131 F2    PX        0.00000   -0.00000    0.00000    0.00000    0.00000
 132 F2    PY        0.00000   -0.00000    0.00000    0.00000    0.00000
 133 F2    PZ        0.00000    0.00000    0.00000    0.00000    0.00000
 134 F2    S'        0.00000   -0.00000    0.00003    0.00005    0.00000
 135 F2    PX'      -0.00000    0.00000   -0.00001   -0.00001    0.00000
 136 F2    PY'      -0.00000   -0.00000    0.00001   -0.00001    0.00000
 137 F2    PZ'       0.00000    0.00000    0.00000    0.00000   -0.00000
 138 F2    DXX      -0.00000    0.00000   -0.00000   -0.00001    0.00000
 139 F2    DYY      -0.00000    0.00000   -0.00002   -0.00001    0.00000
 140 F2    DZZ      -0.00000    0.00000   -0.00001   -0.00001    0.00000
 141 F2    DXY       0.00000   -0.00000    0.00000    0.00000    0.00000
 142 F2    DXZ       0.00000    0.00000    0.00000    0.00000   -0.00000
 143 F2    DYZ       0.00000    0.00000    0.00000    0.00000    0.00000
 144 F3    S1       -0.00000   -0.00000    0.00001   -0.00000    0.00000
 145 F3    S        -0.00000   -0.00000    0.00007   -0.00001    0.00001
 146 F3    PX        0.00000    0.00000   -0.00001    0.00000    0.00000
 147 F3    PY       -0.00000   -0.00000    0.00000   -0.00000    0.00000
 148 F3    PZ        0.00000    0.00000   -0.00000    0.00000    0.00000
 149 F3    S'        0.00000    0.00001   -0.00025    0.00003   -0.00003
 150 F3    PX'      -0.00000   -0.00000    0.00003   -0.00000   -0.00001
 151 F3    PY'       0.00000    0.00000   -0.00002    0.00000   -0.00001
 152 F3    PZ'      -0.00000   -0.00000    0.00004   -0.00000   -0.00002
 153 F3    DXX      -0.00000   -0.00000    0.00005   -0.00000    0.00001
 154 F3    DYY      -0.00000   -0.00000    0.00005   -0.00000    0.00000
 155 F3    DZZ      -0.00000   -0.00000    0.00004   -0.00000    0.00001
 156 F3    DXY      -0.00000   -0.00000    0.00001   -0.00000   -0.00000
 157 F3    DXZ       0.00000    0.00000   -0.00000   -0.00000    0.00001
 158 F3    DYZ       0.00000   -0.00000    0.00000   -0.00000   -0.00000
 159 Br1   S         0.99496    0.31191    0.00025    0.00000    0.00000
 160 Br1   S        -0.02028    1.02768    0.00085    0.00000    0.00000
 161 Br1   PX        0.00001   -0.00082    0.99606    0.00948   -0.00000
 162 Br1   PY       -0.00000    0.00001   -0.00948    0.99612   -0.00000
 163 Br1   PZ        0.00000    0.00000    0.00000    0.00000    0.99615
 164 Br1   S        -0.03044   -0.02401   -0.00029   -0.00000    0.00000
 165 Br1   PX       -0.00001   -0.00004    0.01052    0.00010    0.00000
 166 Br1   PY        0.00000    0.00000   -0.00010    0.01034   -0.00000
 167 Br1   PZ        0.00000    0.00000    0.00000    0.00000    0.01037
 168 Br1   S        -0.00068   -0.00009   -0.00139    0.00000    0.00000
 169 Br1   PX        0.00002    0.00003   -0.00265   -0.00002    0.00000
 170 Br1   PY       -0.00000   -0.00000    0.00003   -0.00192    0.00000
 171 Br1   PZ        0.00000    0.00000    0.00000   -0.00000   -0.00209
 172 Br1   S        -0.00009   -0.00010   -0.00069   -0.00000    0.00000
 173 Br1   PX        0.00001   -0.00001    0.00031    0.00001    0.00000
 174 Br1   PY       -0.00000    0.00000   -0.00000    0.00085   -0.00000
 175 Br1   PZ        0.00000    0.00000    0.00000    0.00000    0.00084
 176 Br1   DXX      -0.01469   -0.02005   -0.00011    0.00000    0.00000
 177 Br1   DYY      -0.01470   -0.01997   -0.00016   -0.00000    0.00000
 178 Br1   DZZ      -0.01470   -0.01997   -0.00015   -0.00000    0.00000
 179 Br1   DXY      -0.00000    0.00000   -0.00000    0.00006    0.00000
 180 Br1   DXZ       0.00000    0.00000    0.00000    0.00000    0.00005
 181 Br1   DYZ       0.00000    0.00000    0.00000    0.00000   -0.00000
 182 Br1   DXX      -0.00278   -0.00187   -0.00020   -0.00000    0.00000
 183 Br1   DYY      -0.00278   -0.00190   -0.00035    0.00000    0.00000
 184 Br1   DZZ      -0.00278   -0.00190   -0.00037    0.00000    0.00000
 185 Br1   DXY       0.00000   -0.00000   -0.00000   -0.00002    0.00000
 186 Br1   DXZ       0.00000    0.00000    0.00000    0.00000    0.00002
 187 Br1   DYZ       0.00000    0.00000    0.00000    0.00000   -0.00000
 188 Br1   DXX      -0.00007    0.00007   -0.00123    0.00000    0.00000
 189 Br1   DYY      -0.00009    0.00007   -0.00061   -0.00000    0.00000
 190 Br1   DZZ      -0.00009    0.00006   -0.00054    0.00000    0.00000
 191 Br1   DXY      -0.00000    0.00000    0.00001    0.00001    0.00000
 192 Br1   DXZ       0.00000    0.00000    0.00000    0.00000   -0.00014
 193 Br1   DYZ       0.00000    0.00000    0.00000    0.00000    0.00000
  MO:                   6          7          8          9         10    
  Eigenvalues:     -24.73012  -24.73012  -24.72378  -10.43890  -10.26735
          (ev)    -672.94119 -672.94115 -672.76864 -284.05713 -279.38897

                       A'         A"         A'         A'         A'     
   1 *C1   S1        0.00000    0.00000    0.00000    0.00000    0.99288
   2 *C1   S         0.00000    0.00000    0.00000    0.00003    0.04937
   3 *C1   PX       -0.00000   -0.00000    0.00001   -0.00002   -0.00047
   4 *C1   PY       -0.00000   -0.00000   -0.00000   -0.00000   -0.00000
   5 *C1   PZ        0.00000   -0.00001    0.00000    0.00000    0.00000
   6 *C1   S'       -0.00019   -0.00000    0.00003   -0.00095   -0.01876
   7 *C1   PX'       0.00004    0.00000    0.00000   -0.00072   -0.00240
   8 *C1   PY'       0.00001    0.00000   -0.00000    0.00006    0.00004
   9 *C1   PZ'      -0.00000    0.00042    0.00000    0.00000    0.00000
  10 *C1   DXX       0.00001    0.00000    0.00000   -0.00002   -0.00931
  11 *C1   DYY       0.00001    0.00000    0.00001   -0.00002   -0.00929
  12 *C1   DZZ      -0.00000   -0.00000   -0.00000    0.00001   -0.00887
  13 *C1   DXY       0.00000    0.00000   -0.00000    0.00000    0.00000
  14 *C1   DXZ      -0.00000    0.00001    0.00000    0.00000    0.00000
  15 *C1   DYZ       0.00000   -0.00000    0.00000    0.00000    0.00000
  16 *C4   S1        0.00001    0.00000    0.00003    0.00045   -0.00013
  17 *C4   S         0.00019    0.00000    0.00024   -0.00050   -0.00023
  18 *C4   PX        0.00004    0.00000    0.00005   -0.00021    0.00006
  19 *C4   PY       -0.00001   -0.00000    0.00002    0.00003   -0.00000
  20 *C4   PZ        0.00000   -0.00001    0.00000    0.00000    0.00000
  21 *C4   S'        0.00031    0.00000   -0.00100    0.00570    0.00358
  22 *C4   PX'      -0.00191   -0.00000   -0.00131    0.00566   -0.00280
  23 *C4   PY'      -0.00003   -0.00000   -0.00010    0.00004    0.00003
  24 *C4   PZ'       0.00000   -0.00074    0.00000    0.00000    0.00000
  25 *C4   DXX      -0.00017   -0.00000   -0.00008   -0.00010   -0.00001
  26 *C4   DYY      -0.00000   -0.00000    0.00002   -0.00020   -0.00008
  27 *C4   DZZ      -0.00001   -0.00000    0.00006   -0.00025    0.00003
  28 *C4   DXY       0.00002    0.00000   -0.00006    0.00003   -0.00000
  29 *C4   DXZ      -0.00000    0.00011    0.00000    0.00000    0.00000
  30 *C4   DYZ       0.00000   -0.00003    0.00000    0.00000    0.00000
  31 C2    S1        0.00001    0.00000    0.00000   -0.00005    0.00597
  32 C2    S         0.00005    0.00002    0.00002   -0.00024   -0.00032
  33 C2    PX        0.00001   -0.00002    0.00001   -0.00003    0.00012
  34 C2    PY        0.00000    0.00001   -0.00000    0.00002   -0.00000
  35 C2    PZ        0.00000   -0.00000    0.00001   -0.00002   -0.00029
  36 C2    S'       -0.00018   -0.00039    0.00008    0.00190    0.00779
  37 C2    PX'      -0.00022   -0.00052   -0.00001    0.00113    0.00050
  38 C2    PY'      -0.00001   -0.00003    0.00001   -0.00010   -0.00000
  39 C2    PZ'       0.00015    0.00029   -0.00005    0.00062    0.00347
  40 C2    DXX      -0.00002   -0.00003   -0.00001    0.00005   -0.00034
  41 C2    DYY       0.00003    0.00001    0.00001   -0.00010   -0.00025
  42 C2    DZZ       0.00001    0.00001    0.00000   -0.00002   -0.00035
  43 C2    DXY      -0.00000   -0.00000    0.00000   -0.00001    0.00000
  44 C2    DXZ       0.00000   -0.00000   -0.00000    0.00001    0.00013
  45 C2    DYZ      -0.00000   -0.00000    0.00000   -0.00001   -0.00000
  46 *C2   S1        0.00001   -0.00000    0.00000   -0.00005    0.00597
  47 *C2   S         0.00005   -0.00002    0.00002   -0.00024   -0.00032
  48 *C2   PX        0.00001    0.00002    0.00001   -0.00003    0.00012
  49 *C2   PY        0.00000   -0.00001   -0.00000    0.00002   -0.00000
  50 *C2   PZ       -0.00000   -0.00000   -0.00001    0.00002    0.00029
  51 *C2   S'       -0.00018    0.00039    0.00008    0.00190    0.00779
  52 *C2   PX'      -0.00022    0.00052   -0.00001    0.00113    0.00050
  53 *C2   PY'      -0.00001    0.00003    0.00001   -0.00010   -0.00000
  54 *C2   PZ'      -0.00015    0.00029    0.00005   -0.00062   -0.00347
  55 *C2   DXX      -0.00002    0.00003   -0.00001    0.00005   -0.00034
  56 *C2   DYY       0.00003   -0.00001    0.00001   -0.00010   -0.00025
  57 *C2   DZZ       0.00001   -0.00001    0.00000   -0.00002   -0.00035
  58 *C2   DXY      -0.00000    0.00000    0.00000   -0.00001    0.00000
  59 *C2   DXZ      -0.00000   -0.00000    0.00000   -0.00001   -0.00013
  60 *C2   DYZ       0.00000   -0.00000   -0.00000    0.00001    0.00000
  61 *C3   S1        0.00001   -0.00000    0.00000   -0.00003    0.00009
  62 *C3   S         0.00003   -0.00001   -0.00001   -0.00011    0.00014
  63 *C3   PX        0.00003   -0.00004    0.00000   -0.00013    0.00001
  64 *C3   PY       -0.00001    0.00003    0.00001   -0.00003    0.00000
  65 *C3   PZ       -0.00003    0.00001    0.00000    0.00001    0.00000
  66 *C3   S'       -0.00040   -0.00006   -0.00015   -0.00044   -0.00404
  67 *C3   PX'      -0.00011    0.00080    0.00024    0.00092    0.00124
  68 *C3   PY'       0.00002   -0.00008    0.00001    0.00011   -0.00002
  69 *C3   PZ'       0.00088   -0.00047    0.00024   -0.00084    0.00214
  70 *C3   DXX       0.00006   -0.00004    0.00003   -0.00011    0.00009
  71 *C3   DYY       0.00003   -0.00002    0.00001   -0.00009    0.00006
  72 *C3   DZZ      -0.00004    0.00005   -0.00002    0.00014    0.00002
  73 *C3   DXY       0.00000   -0.00000    0.00001    0.00001   -0.00000
  74 *C3   DXZ       0.00000   -0.00002   -0.00000   -0.00001    0.00002
  75 *C3   DYZ      -0.00000   -0.00000   -0.00001   -0.00000   -0.00000
  76 C3    S1        0.00001    0.00000    0.00000   -0.00003    0.00009
  77 C3    S         0.00003    0.00001   -0.00001   -0.00011    0.00014
  78 C3    PX        0.00003    0.00004    0.00000   -0.00013    0.00001
  79 C3    PY       -0.00001   -0.00003    0.00001   -0.00003    0.00000
  80 C3    PZ        0.00003    0.00001   -0.00000   -0.00001   -0.00000
  81 C3    S'       -0.00040    0.00006   -0.00015   -0.00044   -0.00404
  82 C3    PX'      -0.00011   -0.00080    0.00024    0.00092    0.00124
  83 C3    PY'       0.00002    0.00008    0.00001    0.00011   -0.00002
  84 C3    PZ'      -0.00088   -0.00047   -0.00024    0.00084   -0.00214
  85 C3    DXX       0.00006    0.00004    0.00003   -0.00011    0.00009
  86 C3    DYY       0.00003    0.00002    0.00001   -0.00009    0.00006
  87 C3    DZZ      -0.00004   -0.00005   -0.00002    0.00014    0.00002
  88 C3    DXY       0.00000    0.00000    0.00001    0.00001   -0.00000
  89 C3    DXZ      -0.00000   -0.00002    0.00000    0.00001   -0.00002
  90 C3    DYZ       0.00000   -0.00000    0.00001    0.00000    0.00000
  91 H2    S         0.00001    0.00001   -0.00001    0.00001    0.00003
  92 H2    S'        0.00001    0.00003   -0.00003    0.00035    0.00035
  93 *H2   S         0.00001   -0.00001   -0.00001    0.00001    0.00003
  94 *H2   S'        0.00001   -0.00003   -0.00003    0.00035    0.00035
  95 *H3   S         0.00004   -0.00007   -0.00001   -0.00008   -0.00008
  96 *H3   S'       -0.00051    0.00021   -0.00015    0.00039   -0.00052
  97 H3    S         0.00004    0.00007   -0.00001   -0.00008   -0.00008
  98 H3    S'       -0.00051   -0.00021   -0.00015    0.00039   -0.00052
  99 C7    S1       -0.00004   -0.00000   -0.00002    0.99337   -0.00000
 100 C7    S         0.00005    0.00000    0.00002    0.04721   -0.00005
 101 C7    PX        0.00048    0.00000    0.00028    0.00129   -0.00003
 102 C7    PY       -0.00040   -0.00000    0.00060   -0.00000   -0.00000
 103 C7    PZ        0.00000   -0.00072    0.00000    0.00000    0.00000
 104 C7    S'        0.00135    0.00000    0.00114   -0.01565    0.00115
 105 C7    PX'      -0.00100   -0.00000   -0.00075    0.00456   -0.00034
 106 C7    PY'       0.00037    0.00000   -0.00040   -0.00011   -0.00007
 107 C7    PZ'      -0.00000    0.00015    0.00000    0.00000    0.00000
 108 C7    DXX       0.00019    0.00000    0.00014   -0.00836    0.00002
 109 C7    DYY       0.00022    0.00000    0.00048   -0.00772    0.00001
 110 C7    DZZ       0.00049    0.00000    0.00009   -0.00765    0.00002
 111 C7    DXY      -0.00014   -0.00000    0.00019   -0.00004    0.00000
 112 C7    DXZ       0.00000   -0.00030    0.00000    0.00000    0.00000
 113 C7    DYZ      -0.00000    0.00028    0.00000    0.00000    0.00000
 114 F1    S1        0.70216    0.70216   -0.00006   -0.00012    0.00001
 115 F1    S         0.01403    0.01393    0.00019   -0.00031    0.00005
 116 F1    PX       -0.00021   -0.00020   -0.00001    0.00003   -0.00000
 117 F1    PY        0.00024    0.00024    0.00001    0.00003    0.00000
 118 F1    PZ        0.00043    0.00041    0.00001    0.00004    0.00000
 119 F1    S'        0.01031    0.01046   -0.00054    0.00168   -0.00020
 120 F1    PX'       0.00019    0.00013    0.00010   -0.00013    0.00002
 121 F1    PY'      -0.00020   -0.00018   -0.00015   -0.00040   -0.00002
 122 F1    PZ'      -0.00043   -0.00022   -0.00016   -0.00070   -0.00004
 123 F1    DXX      -0.00563   -0.00570    0.00013   -0.00022    0.00004
 124 F1    DYY      -0.00568   -0.00573   -0.00002   -0.00022    0.00003
 125 F1    DZZ      -0.00594   -0.00576    0.00006   -0.00076    0.00002
 126 F1    DXY       0.00009    0.00006    0.00001    0.00012    0.00000
 127 F1    DXZ       0.00015    0.00014    0.00004    0.00021    0.00000
 128 F1    DYZ      -0.00014   -0.00016   -0.00008   -0.00051   -0.00000
 129 F2    S1        0.00016    0.00000    0.99301   -0.00018    0.00000
 130 F2    S         0.00033    0.00000    0.01977   -0.00063    0.00002
 131 F2    PX       -0.00002   -0.00000   -0.00025    0.00007   -0.00000
 132 F2    PY       -0.00003   -0.00000   -0.00069   -0.00003   -0.00000
 133 F2    PZ        0.00000   -0.00002    0.00000    0.00000    0.00000
 134 F2    S'       -0.00095   -0.00000    0.01470    0.00273   -0.00009
 135 F2    PX'       0.00015    0.00000    0.00020   -0.00034    0.00001
 136 F2    PY'       0.00033    0.00000    0.00049    0.00065    0.00003
 137 F2    PZ'      -0.00000    0.00016    0.00000    0.00000    0.00000
 138 F2    DXX       0.00021    0.00000   -0.00797   -0.00041    0.00002
 139 F2    DYY       0.00002    0.00000   -0.00837   -0.00123    0.00000
 140 F2    DZZ       0.00013    0.00000   -0.00795   -0.00023    0.00001
 141 F2    DXY      -0.00004   -0.00000   -0.00019   -0.00018   -0.00000
 142 F2    DXZ      -0.00000    0.00001    0.00000    0.00000    0.00000
 143 F2    DYZ       0.00000   -0.00013    0.00000    0.00000    0.00000
 144 F3    S1        0.70216   -0.70216   -0.00006   -0.00012    0.00001
 145 F3    S         0.01403   -0.01393    0.00019   -0.00031    0.00005
 146 F3    PX       -0.00021    0.00020   -0.00001    0.00003   -0.00000
 147 F3    PY        0.00024   -0.00024    0.00001    0.00003    0.00000
 148 F3    PZ       -0.00043    0.00041   -0.00001   -0.00004   -0.00000
 149 F3    S'        0.01031   -0.01046   -0.00054    0.00168   -0.00020
 150 F3    PX'       0.00019   -0.00013    0.00010   -0.00013    0.00002
 151 F3    PY'      -0.00020    0.00018   -0.00015   -0.00040   -0.00002
 152 F3    PZ'       0.00043   -0.00022    0.00016    0.00070    0.00004
 153 F3    DXX      -0.00563    0.00570    0.00013   -0.00022    0.00004
 154 F3    DYY      -0.00568    0.00573   -0.00002   -0.00022    0.00003
 155 F3    DZZ      -0.00594    0.00576    0.00006   -0.00076    0.00002
 156 F3    DXY       0.00009   -0.00006    0.00001    0.00012    0.00000
 157 F3    DXZ      -0.00015    0.00014   -0.00004   -0.00021   -0.00000
 158 F3    DYZ       0.00014   -0.00016    0.00008    0.00051    0.00000
 159 Br1   S         0.00000    0.00000    0.00000   -0.00000   -0.00000
 160 Br1   S        -0.00000   -0.00000   -0.00000    0.00000    0.00002
 161 Br1   PX        0.00000    0.00000   -0.00000   -0.00000   -0.00001
 162 Br1   PY       -0.00000    0.00000    0.00000   -0.00000    0.00000
 163 Br1   PZ        0.00000   -0.00000    0.00000    0.00000    0.00000
 164 Br1   S        -0.00000   -0.00000   -0.00000    0.00002    0.00005
 165 Br1   PX       -0.00000   -0.00000    0.00000    0.00001    0.00004
 166 Br1   PY        0.00000    0.00000   -0.00000    0.00000   -0.00000
 167 Br1   PZ       -0.00000    0.00000    0.00000    0.00000    0.00000
 168 Br1   S         0.00001    0.00000   -0.00001   -0.00001   -0.00078
 169 Br1   PX        0.00002    0.00000   -0.00000   -0.00007    0.00006
 170 Br1   PY       -0.00000   -0.00000    0.00000   -0.00001   -0.00000
 171 Br1   PZ        0.00000   -0.00002    0.00000    0.00000    0.00000
 172 Br1   S        -0.00003   -0.00000   -0.00001    0.00008    0.00231
 173 Br1   PX       -0.00002   -0.00000   -0.00001    0.00005    0.00151
 174 Br1   PY       -0.00000    0.00000   -0.00000    0.00000   -0.00002
 175 Br1   PZ       -0.00000    0.00002    0.00000    0.00000    0.00000
 176 Br1   DXX       0.00000    0.00000   -0.00000    0.00000   -0.00002
 177 Br1   DYY       0.00000    0.00000   -0.00000   -0.00000    0.00000
 178 Br1   DZZ       0.00000    0.00000   -0.00000   -0.00000   -0.00001
 179 Br1   DXY      -0.00000    0.00000   -0.00000   -0.00000    0.00000
 180 Br1   DXZ       0.00000   -0.00000    0.00000    0.00000    0.00000
 181 Br1   DYZ       0.00000   -0.00000    0.00000    0.00000    0.00000
 182 Br1   DXX       0.00001    0.00000    0.00000   -0.00002   -0.00013
 183 Br1   DYY       0.00000    0.00000   -0.00000   -0.00001   -0.00021
 184 Br1   DZZ       0.00001    0.00000   -0.00000   -0.00002   -0.00015
 185 Br1   DXY       0.00000    0.00000    0.00000    0.00000   -0.00000
 186 Br1   DXZ       0.00000    0.00000    0.00000    0.00000    0.00000
 187 Br1   DYZ       0.00000    0.00000    0.00000    0.00000    0.00000
 188 Br1   DXX       0.00002    0.00000   -0.00000   -0.00006   -0.00049
 189 Br1   DYY       0.00003    0.00000    0.00000   -0.00008   -0.00048
 190 Br1   DZZ       0.00001    0.00000   -0.00000   -0.00005   -0.00063
 191 Br1   DXY      -0.00000   -0.00000   -0.00000   -0.00000   -0.00000
 192 Br1   DXZ       0.00000   -0.00001    0.00000    0.00000    0.00000
 193 Br1   DYZ       0.00000   -0.00000    0.00000    0.00000    0.00000
  MO:                  11         12         13         14         15    
  Eigenvalues:     -10.22875  -10.22411  -10.22408  -10.22282  -10.22282
          (ev)    -278.33845 -278.21243 -278.21150 -278.17729 -278.17723

                       A'         A"         A'         A"         A'     
   1 *C1   S1        0.00001   -0.00000   -0.00204   -0.00000   -0.00884
   2 *C1   S        -0.00021    0.00000   -0.00009   -0.00000   -0.00133
   3 *C1   PX       -0.00003    0.00000   -0.00010   -0.00000   -0.00036
   4 *C1   PY       -0.00000    0.00000   -0.00000    0.00000    0.00000
   5 *C1   PZ        0.00000   -0.00012    0.00000    0.00041   -0.00000
   6 *C1   S'        0.00312   -0.00000   -0.00393    0.00000    0.01476
   7 *C1   PX'       0.00162   -0.00000   -0.00197    0.00000    0.00698
   8 *C1   PY'       0.00000    0.00000    0.00002   -0.00000   -0.00008
   9 *C1   PZ'       0.00000   -0.00003    0.00000   -0.00319    0.00000
  10 *C1   DXX       0.00000    0.00000    0.00002   -0.00000   -0.00026
  11 *C1   DYY      -0.00008    0.00000    0.00003   -0.00000   -0.00020
  12 *C1   DZZ       0.00002    0.00000   -0.00004   -0.00000   -0.00053
  13 *C1   DXY      -0.00000    0.00000    0.00000    0.00000    0.00000
  14 *C1   DXZ       0.00000    0.00000    0.00000    0.00011   -0.00000
  15 *C1   DYZ       0.00000   -0.00000    0.00000   -0.00000    0.00000
  16 *C4   S1        0.98943   -0.00000   -0.08059    0.00000    0.01463
  17 *C4   S         0.04975   -0.00000   -0.00486    0.00000    0.00114
  18 *C4   PX        0.00023    0.00000    0.00036   -0.00000   -0.00006
  19 *C4   PY        0.00008    0.00000   -0.00001    0.00000    0.00000
  20 *C4   PZ        0.00000   -0.00043    0.00000   -0.00011    0.00000
  21 *C4   S'       -0.01827    0.00000    0.01256   -0.00000   -0.00980
  22 *C4   PX'       0.00196   -0.00000   -0.00667    0.00000    0.00494
  23 *C4   PY'      -0.00005    0.00000   -0.00007   -0.00000   -0.00006
  24 *C4   PZ'       0.00000    0.00288   -0.00000    0.00218   -0.00000
  25 *C4   DXX      -0.00918    0.00000    0.00037    0.00000    0.00001
  26 *C4   DYY      -0.00945    0.00000    0.00050    0.00000   -0.00001
  27 *C4   DZZ      -0.00907    0.00000    0.00015    0.00000    0.00008
  28 *C4   DXY       0.00005    0.00000   -0.00003    0.00000    0.00000
  29 *C4   DXZ       0.00000    0.00009    0.00000    0.00003   -0.00000
  30 *C4   DYZ       0.00000   -0.00000    0.00000    0.00000    0.00000
  31 C2    S1        0.00269   -0.15683    0.15637    0.68427    0.68439
  32 C2    S         0.00017   -0.00755    0.00725    0.03443    0.03465
  33 C2    PX       -0.00003    0.00021   -0.00023    0.00011    0.00014
  34 C2    PY        0.00000   -0.00000   -0.00000   -0.00000   -0.00000
  35 C2    PZ        0.00000   -0.00004   -0.00001    0.00029    0.00025
  36 C2    S'       -0.00252   -0.00145    0.00563   -0.01214   -0.01909
  37 C2    PX'      -0.00059   -0.00116    0.00273   -0.00092   -0.00360
  38 C2    PY'      -0.00003    0.00001   -0.00002    0.00001    0.00003
  39 C2    PZ'      -0.00165   -0.00051    0.00264   -0.00234   -0.00586
  40 C2    DXX       0.00005    0.00177   -0.00176   -0.00630   -0.00622
  41 C2    DYY      -0.00000    0.00161   -0.00171   -0.00655   -0.00648
  42 C2    DZZ      -0.00001    0.00162   -0.00161   -0.00640   -0.00628
  43 C2    DXY      -0.00000   -0.00000    0.00000   -0.00000   -0.00000
  44 C2    DXZ       0.00003   -0.00003    0.00001   -0.00004   -0.00007
  45 C2    DYZ      -0.00000    0.00000    0.00000    0.00000    0.00000
  46 *C2   S1        0.00269    0.15683    0.15637   -0.68427    0.68439
  47 *C2   S         0.00017    0.00755    0.00725   -0.03443    0.03465
  48 *C2   PX       -0.00003   -0.00021   -0.00023   -0.00011    0.00014
  49 *C2   PY        0.00000    0.00000   -0.00000    0.00000   -0.00000
  50 *C2   PZ       -0.00000   -0.00004    0.00001    0.00029   -0.00025
  51 *C2   S'       -0.00252    0.00145    0.00563    0.01214   -0.01909
  52 *C2   PX'      -0.00059    0.00116    0.00273    0.00092   -0.00360
  53 *C2   PY'      -0.00003   -0.00001   -0.00002   -0.00001    0.00003
  54 *C2   PZ'       0.00165   -0.00051   -0.00264   -0.00234    0.00586
  55 *C2   DXX       0.00005   -0.00177   -0.00176    0.00630   -0.00622
  56 *C2   DYY      -0.00000   -0.00161   -0.00171    0.00655   -0.00648
  57 *C2   DZZ      -0.00001   -0.00162   -0.00161    0.00640   -0.00628
  58 *C2   DXY      -0.00000    0.00000    0.00000    0.00000   -0.00000
  59 *C2   DXZ      -0.00003   -0.00003   -0.00001   -0.00004    0.00007
  60 *C2   DYZ       0.00000    0.00000   -0.00000    0.00000   -0.00000
  61 *C3   S1        0.05740    0.68421    0.68199    0.15711   -0.15646
  62 *C3   S         0.00230    0.03425    0.03425    0.00824   -0.00852
  63 *C3   PX       -0.00016   -0.00004   -0.00003   -0.00027    0.00028
  64 *C3   PY       -0.00001   -0.00000    0.00000    0.00000   -0.00000
  65 *C3   PZ        0.00032   -0.00024   -0.00020   -0.00007    0.00011
  66 *C3   S'        0.00627   -0.01021   -0.01553   -0.00714    0.01325
  67 *C3   PX'       0.00032    0.00028    0.00211    0.00136   -0.00397
  68 *C3   PY'       0.00005    0.00000   -0.00001   -0.00001    0.00005
  69 *C3   PZ'      -0.00314    0.00176    0.00451    0.00165   -0.00475
  70 *C3   DXX      -0.00085   -0.00641   -0.00629   -0.00117    0.00113
  71 *C3   DYY      -0.00075   -0.00660   -0.00653   -0.00140    0.00128
  72 *C3   DZZ      -0.00091   -0.00648   -0.00632   -0.00133    0.00127
  73 *C3   DXY       0.00001   -0.00000   -0.00001   -0.00000    0.00000
  74 *C3   DXZ       0.00012   -0.00003   -0.00008   -0.00004    0.00004
  75 *C3   DYZ      -0.00001   -0.00000   -0.00001   -0.00000    0.00000
  76 C3    S1        0.05740   -0.68421    0.68199   -0.15711   -0.15646
  77 C3    S         0.00230   -0.03425    0.03425   -0.00824   -0.00852
  78 C3    PX       -0.00016    0.00004   -0.00003    0.00027    0.00028
  79 C3    PY       -0.00001    0.00000    0.00000   -0.00000   -0.00000
  80 C3    PZ       -0.00032   -0.00024    0.00020   -0.00007   -0.00011
  81 C3    S'        0.00627    0.01021   -0.01553    0.00714    0.01325
  82 C3    PX'       0.00032   -0.00028    0.00211   -0.00136   -0.00397
  83 C3    PY'       0.00005   -0.00000   -0.00001    0.00001    0.00005
  84 C3    PZ'       0.00314    0.00176   -0.00451    0.00165    0.00475
  85 C3    DXX      -0.00085    0.00641   -0.00629    0.00117    0.00113
  86 C3    DYY      -0.00075    0.00660   -0.00653    0.00140    0.00128
  87 C3    DZZ      -0.00091    0.00648   -0.00632    0.00133    0.00127
  88 C3    DXY       0.00001    0.00000   -0.00001    0.00000    0.00000
  89 C3    DXZ      -0.00012   -0.00003    0.00008   -0.00004   -0.00004
  90 C3    DYZ       0.00001   -0.00000    0.00001   -0.00000   -0.00000
  91 H2    S        -0.00007    0.00007    0.00001   -0.00027   -0.00039
  92 H2    S'       -0.00035   -0.00038    0.00106    0.00079   -0.00026
  93 *H2   S        -0.00007   -0.00007    0.00001    0.00027   -0.00039
  94 *H2   S'       -0.00035    0.00038    0.00106   -0.00079   -0.00026
  95 *H3   S        -0.00005   -0.00027   -0.00035   -0.00006    0.00018
  96 *H3   S'        0.00044    0.00093    0.00021    0.00002    0.00099
  97 H3    S        -0.00005    0.00027   -0.00035    0.00006    0.00018
  98 H3    S'        0.00044   -0.00093    0.00021   -0.00002    0.00099
  99 C7    S1       -0.00071    0.00000    0.00003   -0.00000   -0.00004
 100 C7    S        -0.00008   -0.00000   -0.00029   -0.00000   -0.00010
 101 C7    PX        0.00017    0.00000   -0.00003    0.00000    0.00005
 102 C7    PY       -0.00007    0.00000    0.00002    0.00000    0.00000
 103 C7    PZ        0.00000   -0.00003    0.00000    0.00000    0.00000
 104 C7    S'        0.00237    0.00000    0.00242   -0.00000   -0.00047
 105 C7    PX'      -0.00092   -0.00000   -0.00078    0.00000    0.00009
 106 C7    PY'      -0.00070    0.00000    0.00036    0.00000    0.00004
 107 C7    PZ'       0.00000   -0.00016    0.00000   -0.00067    0.00000
 108 C7    DXX      -0.00055    0.00000    0.00013   -0.00000   -0.00005
 109 C7    DYY      -0.00023    0.00000   -0.00000   -0.00000   -0.00004
 110 C7    DZZ      -0.00018    0.00000    0.00002   -0.00000   -0.00006
 111 C7    DXY      -0.00004    0.00000    0.00002    0.00000   -0.00001
 112 C7    DXZ       0.00000   -0.00001    0.00000    0.00002   -0.00000
 113 C7    DYZ       0.00000   -0.00000    0.00000    0.00000    0.00000
 114 F1    S1        0.00001    0.00000   -0.00001    0.00001   -0.00000
 115 F1    S         0.00004    0.00000   -0.00004    0.00005   -0.00001
 116 F1    PX        0.00003   -0.00001    0.00001    0.00001    0.00000
 117 F1    PY        0.00000   -0.00000    0.00001    0.00001   -0.00000
 118 F1    PZ       -0.00001    0.00001   -0.00000    0.00000    0.00001
 119 F1    S'       -0.00038    0.00000    0.00007   -0.00029    0.00000
 120 F1    PX'      -0.00007   -0.00003   -0.00003   -0.00004    0.00002
 121 F1    PY'       0.00003    0.00001   -0.00008   -0.00007    0.00001
 122 F1    PZ'      -0.00006   -0.00002   -0.00001   -0.00003   -0.00002
 123 F1    DXX       0.00013    0.00001   -0.00000    0.00005   -0.00001
 124 F1    DYY      -0.00000    0.00001   -0.00006    0.00001   -0.00001
 125 F1    DZZ       0.00002    0.00001   -0.00005    0.00003   -0.00000
 126 F1    DXY      -0.00002   -0.00001    0.00001   -0.00000   -0.00000
 127 F1    DXZ      -0.00005   -0.00000    0.00000    0.00000    0.00001
 128 F1    DYZ       0.00005   -0.00001   -0.00001   -0.00000    0.00001
 129 F2    S1       -0.00014    0.00000    0.00005    0.00000    0.00000
 130 F2    S        -0.00077    0.00000    0.00031    0.00000    0.00001
 131 F2    PX        0.00013    0.00000   -0.00003    0.00000    0.00000
 132 F2    PY        0.00006    0.00000   -0.00003    0.00000   -0.00000
 133 F2    PZ        0.00000   -0.00001    0.00000   -0.00002    0.00000
 134 F2    S'        0.00232   -0.00000   -0.00110   -0.00000   -0.00007
 135 F2    PX'      -0.00050    0.00000    0.00017    0.00000    0.00002
 136 F2    PY'      -0.00032    0.00000    0.00022    0.00000    0.00001
 137 F2    PZ'       0.00000    0.00001    0.00000    0.00011   -0.00000
 138 F2    DXX      -0.00043    0.00000    0.00018    0.00000    0.00000
 139 F2    DYY      -0.00052    0.00000    0.00018    0.00000    0.00001
 140 F2    DZZ      -0.00068    0.00000    0.00021    0.00000   -0.00001
 141 F2    DXY       0.00011    0.00000   -0.00003    0.00000   -0.00001
 142 F2    DXZ       0.00000    0.00001    0.00000    0.00001    0.00000
 143 F2    DYZ       0.00000    0.00000    0.00000   -0.00003    0.00000
 144 F3    S1        0.00001   -0.00000   -0.00001   -0.00001   -0.00000
 145 F3    S         0.00004   -0.00000   -0.00004   -0.00005   -0.00001
 146 F3    PX        0.00003    0.00001    0.00001   -0.00001    0.00000
 147 F3    PY        0.00000    0.00000    0.00001   -0.00001   -0.00000
 148 F3    PZ        0.00001    0.00001    0.00000    0.00000   -0.00001
 149 F3    S'       -0.00038   -0.00000    0.00007    0.00029    0.00000
 150 F3    PX'      -0.00007    0.00003   -0.00003    0.00004    0.00002
 151 F3    PY'       0.00003   -0.00001   -0.00008    0.00007    0.00001
 152 F3    PZ'       0.00006   -0.00002    0.00001   -0.00003    0.00002
 153 F3    DXX       0.00013   -0.00001   -0.00000   -0.00005   -0.00001
 154 F3    DYY      -0.00000   -0.00001   -0.00006   -0.00001   -0.00001
 155 F3    DZZ       0.00002   -0.00001   -0.00005   -0.00003   -0.00000
 156 F3    DXY      -0.00002    0.00001    0.00001    0.00000   -0.00000
 157 F3    DXZ       0.00005   -0.00000   -0.00000    0.00000   -0.00001
 158 F3    DYZ      -0.00005   -0.00001    0.00001   -0.00000   -0.00001
 159 Br1   S         0.00000    0.00000   -0.00000    0.00000    0.00000
 160 Br1   S        -0.00000    0.00000    0.00001    0.00000   -0.00000
 161 Br1   PX        0.00000    0.00000   -0.00000    0.00000    0.00001
 162 Br1   PY       -0.00000    0.00000    0.00000    0.00000   -0.00000
 163 Br1   PZ        0.00000    0.00000    0.00000    0.00001    0.00000
 164 Br1   S        -0.00000    0.00000    0.00005    0.00000    0.00002
 165 Br1   PX       -0.00001    0.00000    0.00001   -0.00000   -0.00003
 166 Br1   PY        0.00000    0.00000   -0.00000    0.00000    0.00000
 167 Br1   PZ        0.00000   -0.00000    0.00000   -0.00002    0.00000
 168 Br1   S         0.00007    0.00000    0.00008    0.00000    0.00031
 169 Br1   PX        0.00010   -0.00000   -0.00011    0.00000    0.00021
 170 Br1   PY       -0.00000    0.00000    0.00000    0.00000   -0.00000
 171 Br1   PZ        0.00000    0.00000    0.00000    0.00013   -0.00000
 172 Br1   S         0.00015    0.00000    0.00020    0.00000    0.00089
 173 Br1   PX        0.00009    0.00000    0.00016    0.00000    0.00062
 174 Br1   PY       -0.00000    0.00000   -0.00000    0.00000   -0.00000
 175 Br1   PZ        0.00000    0.00010    0.00000    0.00012   -0.00000
 176 Br1   DXX       0.00000    0.00000    0.00001    0.00000    0.00003
 177 Br1   DYY       0.00000    0.00000   -0.00000    0.00000    0.00001
 178 Br1   DZZ       0.00000    0.00000    0.00000    0.00000    0.00002
 179 Br1   DXY      -0.00000    0.00000   -0.00000    0.00000   -0.00000
 180 Br1   DXZ       0.00000    0.00001    0.00000    0.00000    0.00000
 181 Br1   DYZ       0.00000   -0.00000    0.00000   -0.00000    0.00000
 182 Br1   DXX       0.00002    0.00000   -0.00004    0.00000    0.00003
 183 Br1   DYY       0.00003    0.00000    0.00000    0.00000    0.00011
 184 Br1   DZZ       0.00002    0.00000   -0.00002    0.00000    0.00009
 185 Br1   DXY       0.00000    0.00000    0.00000    0.00000    0.00000
 186 Br1   DXZ       0.00000   -0.00002    0.00000   -0.00002    0.00000
 187 Br1   DYZ       0.00000    0.00000    0.00000    0.00000    0.00000
 188 Br1   DXX       0.00010    0.00000   -0.00003    0.00000    0.00035
 189 Br1   DYY       0.00006   -0.00000   -0.00014    0.00000    0.00008
 190 Br1   DZZ       0.00007    0.00000   -0.00008    0.00000    0.00016
 191 Br1   DXY      -0.00000    0.00000   -0.00000    0.00000   -0.00000
 192 Br1   DXZ       0.00000    0.00008    0.00000    0.00011   -0.00000
 193 Br1   DYZ       0.00000   -0.00000    0.00000   -0.00000    0.00000
  MO:                  16         17         18         19         20    
  Eigenvalues:      -8.71946   -6.54976   -6.53686   -6.53653   -2.64331
          (ev)    -237.26881 -178.22811 -177.87713 -177.86805  -71.92805

                       A'         A'         A'         A"         A'     
   1 *C1   S1        0.00005   -0.00011   -0.00000    0.00000   -0.00072
   2 *C1   S         0.00003    0.00015   -0.00000    0.00000    0.00211
   3 *C1   PX        0.00006   -0.00047   -0.00000    0.00000   -0.00158
   4 *C1   PY       -0.00000    0.00000   -0.00006    0.00000    0.00002
   5 *C1   PZ        0.00000    0.00000    0.00000    0.00022    0.00000
   6 *C1   S'       -0.00116    0.00796    0.00002    0.00000   -0.00348
   7 *C1   PX'      -0.00151    0.01309    0.00001    0.00000    0.01737
   8 *C1   PY'       0.00001   -0.00012   -0.00005    0.00000   -0.00017
   9 *C1   PZ'       0.00000    0.00000   -0.00000   -0.00848    0.00000
  10 *C1   DXX       0.00011   -0.00092    0.00000    0.00000    0.00003
  11 *C1   DYY       0.00001    0.00001   -0.00000    0.00000    0.00022
  12 *C1   DZZ       0.00003    0.00009   -0.00000    0.00000    0.00004
  13 *C1   DXY      -0.00000    0.00001    0.00014    0.00000    0.00000
  14 *C1   DXZ       0.00000    0.00000    0.00000   -0.00016    0.00000
  15 *C1   DYZ       0.00000    0.00000    0.00000    0.00000    0.00000
  16 *C4   S1       -0.00001    0.00005    0.00000    0.00000    0.00001
  17 *C4   S        -0.00004    0.00029    0.00001    0.00000    0.00003
  18 *C4   PX        0.00002   -0.00014   -0.00000    0.00000   -0.00009
  19 *C4   PY       -0.00000    0.00000   -0.00001    0.00000    0.00000
  20 *C4   PZ        0.00000    0.00000    0.00000   -0.00000    0.00000
  21 *C4   S'        0.00067   -0.00501   -0.00006    0.00000   -0.00074
  22 *C4   PX'      -0.00074    0.00498   -0.00009    0.00000    0.00140
  23 *C4   PY'       0.00001   -0.00009    0.00017    0.00000    0.00002
  24 *C4   PZ'       0.00000    0.00000    0.00000    0.00287    0.00000
  25 *C4   DXX      -0.00001    0.00005   -0.00001    0.00000    0.00008
  26 *C4   DYY      -0.00001    0.00009    0.00000    0.00000    0.00004
  27 *C4   DZZ       0.00001   -0.00007   -0.00000    0.00000   -0.00000
  28 *C4   DXY       0.00000   -0.00000   -0.00001    0.00000    0.00001
  29 *C4   DXZ       0.00000    0.00000    0.00000   -0.00008    0.00000
  30 *C4   DYZ       0.00000    0.00000    0.00000    0.00000    0.00000
  31 C2    S1       -0.00001    0.00007    0.00000    0.00007    0.00010
  32 C2    S        -0.00004    0.00040    0.00000    0.00043    0.00035
  33 C2    PX       -0.00004    0.00025    0.00000   -0.00005   -0.00029
  34 C2    PY        0.00000   -0.00000   -0.00010    0.00000    0.00001
  35 C2    PZ        0.00001   -0.00002    0.00000    0.00002    0.00019
  36 C2    S'        0.00142   -0.00993   -0.00001   -0.00482   -0.00532
  37 C2    PX'       0.00093   -0.00615   -0.00000    0.00423   -0.00168
  38 C2    PY'      -0.00001    0.00004    0.00043   -0.00005   -0.00000
  39 C2    PZ'       0.00071   -0.00636   -0.00001   -0.00380   -0.00587
  40 C2    DXX      -0.00002    0.00007   -0.00000   -0.00004    0.00066
  41 C2    DYY      -0.00002    0.00012    0.00000    0.00014    0.00027
  42 C2    DZZ       0.00000   -0.00013    0.00000   -0.00008   -0.00012
  43 C2    DXY       0.00000    0.00000   -0.00002    0.00000   -0.00001
  44 C2    DXZ       0.00002   -0.00007    0.00000    0.00014   -0.00024
  45 C2    DYZ      -0.00000    0.00000    0.00001   -0.00000    0.00000
  46 *C2   S1       -0.00001    0.00007    0.00000   -0.00007    0.00010
  47 *C2   S        -0.00004    0.00040    0.00000   -0.00043    0.00035
  48 *C2   PX       -0.00004    0.00025    0.00000    0.00005   -0.00029
  49 *C2   PY        0.00000   -0.00000   -0.00010   -0.00000    0.00001
  50 *C2   PZ       -0.00001    0.00002   -0.00000    0.00002   -0.00019
  51 *C2   S'        0.00142   -0.00993   -0.00001    0.00482   -0.00532
  52 *C2   PX'       0.00093   -0.00615   -0.00000   -0.00423   -0.00168
  53 *C2   PY'      -0.00001    0.00004    0.00043    0.00005   -0.00000
  54 *C2   PZ'      -0.00071    0.00636    0.00001   -0.00380    0.00587
  55 *C2   DXX      -0.00002    0.00007   -0.00000    0.00004    0.00066
  56 *C2   DYY      -0.00002    0.00012    0.00000   -0.00014    0.00027
  57 *C2   DZZ       0.00000   -0.00013    0.00000    0.00008   -0.00012
  58 *C2   DXY       0.00000    0.00000   -0.00002   -0.00000   -0.00001
  59 *C2   DXZ      -0.00002    0.00007   -0.00000    0.00014    0.00024
  60 *C2   DYZ       0.00000   -0.00000   -0.00001   -0.00000   -0.00000
  61 *C3   S1        0.00001   -0.00005    0.00000    0.00002    0.00005
  62 *C3   S         0.00006   -0.00033    0.00000    0.00009    0.00028
  63 *C3   PX        0.00002   -0.00018    0.00000    0.00000   -0.00013
  64 *C3   PY        0.00000   -0.00000    0.00003   -0.00000   -0.00000
  65 *C3   PZ        0.00001   -0.00007   -0.00000   -0.00007   -0.00009
  66 *C3   S'       -0.00139    0.00913   -0.00001   -0.00005    0.00157
  67 *C3   PX'       0.00054   -0.00339    0.00000   -0.00191    0.00016
  68 *C3   PY'      -0.00001    0.00006   -0.00026    0.00002    0.00000
  69 *C3   PZ'       0.00042   -0.00323    0.00002    0.00236   -0.00075
  70 *C3   DXX      -0.00001    0.00008    0.00000    0.00001   -0.00016
  71 *C3   DYY       0.00001   -0.00004    0.00000    0.00003    0.00013
  72 *C3   DZZ      -0.00000    0.00003   -0.00000   -0.00002    0.00004
  73 *C3   DXY       0.00000   -0.00000    0.00002    0.00000    0.00000
  74 *C3   DXZ      -0.00000    0.00001   -0.00000    0.00002    0.00006
  75 *C3   DYZ       0.00000   -0.00000    0.00001   -0.00000    0.00000
  76 C3    S1        0.00001   -0.00005    0.00000   -0.00002    0.00005
  77 C3    S         0.00006   -0.00033    0.00000   -0.00009    0.00028
  78 C3    PX        0.00002   -0.00018    0.00000   -0.00000   -0.00013
  79 C3    PY        0.00000   -0.00000    0.00003    0.00000   -0.00000
  80 C3    PZ       -0.00001    0.00007    0.00000   -0.00007    0.00009
  81 C3    S'       -0.00139    0.00913   -0.00001    0.00005    0.00157
  82 C3    PX'       0.00054   -0.00339    0.00000    0.00191    0.00016
  83 C3    PY'      -0.00001    0.00006   -0.00026   -0.00002    0.00000
  84 C3    PZ'      -0.00042    0.00323   -0.00002    0.00236    0.00075
  85 C3    DXX      -0.00001    0.00008    0.00000   -0.00001   -0.00016
  86 C3    DYY       0.00001   -0.00004    0.00000   -0.00003    0.00013
  87 C3    DZZ      -0.00000    0.00003   -0.00000    0.00002    0.00004
  88 C3    DXY       0.00000   -0.00000    0.00002   -0.00000    0.00000
  89 C3    DXZ       0.00000   -0.00001    0.00000    0.00002   -0.00006
  90 C3    DYZ      -0.00000    0.00000   -0.00001   -0.00000   -0.00000
  91 H2    S         0.00007   -0.00040    0.00000    0.00026   -0.00000
  92 H2    S'        0.00023   -0.00274   -0.00001   -0.00080   -0.00327
  93 *H2   S         0.00007   -0.00040    0.00000   -0.00026   -0.00000
  94 *H2   S'        0.00023   -0.00274   -0.00001    0.00080   -0.00327
  95 *H3   S        -0.00000    0.00006   -0.00000   -0.00011   -0.00001
  96 *H3   S'       -0.00012    0.00089   -0.00001   -0.00039   -0.00009
  97 H3    S        -0.00000    0.00006   -0.00000    0.00011   -0.00001
  98 H3    S'       -0.00012    0.00089   -0.00001    0.00039   -0.00009
  99 C7    S1       -0.00000    0.00001   -0.00000    0.00000    0.00004
 100 C7    S        -0.00001    0.00009   -0.00003    0.00000    0.00023
 101 C7    PX       -0.00001    0.00006    0.00001    0.00000   -0.00004
 102 C7    PY       -0.00000    0.00001   -0.00000    0.00000   -0.00001
 103 C7    PZ        0.00000    0.00000    0.00000   -0.00002    0.00000
 104 C7    S'        0.00034   -0.00230    0.00021    0.00000   -0.00162
 105 C7    PX'      -0.00011    0.00074   -0.00005    0.00000    0.00065
 106 C7    PY'      -0.00005    0.00026    0.00000    0.00000   -0.00005
 107 C7    PZ'       0.00000    0.00000    0.00000   -0.00029    0.00000
 108 C7    DXX       0.00001   -0.00005   -0.00000    0.00000    0.00000
 109 C7    DYY       0.00001   -0.00003    0.00000    0.00000    0.00003
 110 C7    DZZ       0.00001   -0.00005   -0.00001    0.00000    0.00003
 111 C7    DXY      -0.00000    0.00000    0.00001    0.00000   -0.00000
 112 C7    DXZ       0.00000    0.00000    0.00000    0.00005    0.00000
 113 C7    DYZ       0.00000    0.00000    0.00000   -0.00002    0.00000
 114 F1    S1        0.00001   -0.00003    0.00000    0.00001   -0.00001
 115 F1    S         0.00003   -0.00016    0.00002    0.00003   -0.00004
 116 F1    PX       -0.00000    0.00002   -0.00000    0.00000    0.00000
 117 F1    PY        0.00000   -0.00000    0.00000    0.00001   -0.00000
 118 F1    PZ        0.00000   -0.00000   -0.00000   -0.00001   -0.00000
 119 F1    S'       -0.00011    0.00061   -0.00007   -0.00012    0.00020
 120 F1    PX'       0.00002   -0.00010    0.00001   -0.00003   -0.00006
 121 F1    PY'      -0.00001    0.00004   -0.00001   -0.00003    0.00003
 122 F1    PZ'      -0.00002    0.00010   -0.00001    0.00004    0.00005
 123 F1    DXX       0.00002   -0.00012    0.00001    0.00003   -0.00003
 124 F1    DYY       0.00002   -0.00011    0.00001    0.00001   -0.00001
 125 F1    DZZ       0.00002   -0.00009    0.00001    0.00003   -0.00002
 126 F1    DXY       0.00000   -0.00001    0.00000   -0.00000   -0.00001
 127 F1    DXZ       0.00000   -0.00000   -0.00000   -0.00002   -0.00001
 128 F1    DYZ      -0.00000    0.00000    0.00000    0.00001   -0.00001
 129 F2    S1       -0.00000    0.00000    0.00001    0.00000   -0.00002
 130 F2    S        -0.00001    0.00001    0.00004    0.00000   -0.00011
 131 F2    PX        0.00000    0.00000   -0.00000    0.00000    0.00001
 132 F2    PY        0.00000   -0.00000   -0.00000    0.00000    0.00001
 133 F2    PZ        0.00000    0.00000    0.00000   -0.00000    0.00000
 134 F2    S'        0.00002   -0.00001   -0.00013    0.00000    0.00043
 135 F2    PX'      -0.00000   -0.00001    0.00003    0.00000   -0.00011
 136 F2    PY'       0.00000   -0.00004    0.00003    0.00000   -0.00009
 137 F2    PZ'       0.00000    0.00000    0.00000    0.00002    0.00000
 138 F2    DXX      -0.00000   -0.00001    0.00002    0.00000   -0.00007
 139 F2    DYY      -0.00001    0.00003    0.00002    0.00000   -0.00007
 140 F2    DZZ      -0.00001    0.00002    0.00003    0.00000   -0.00006
 141 F2    DXY      -0.00000    0.00000   -0.00001    0.00000    0.00002
 142 F2    DXZ       0.00000    0.00000    0.00000    0.00001    0.00000
 143 F2    DYZ       0.00000    0.00000    0.00000   -0.00001    0.00000
 144 F3    S1        0.00001   -0.00003    0.00000   -0.00001   -0.00001
 145 F3    S         0.00003   -0.00016    0.00002   -0.00003   -0.00004
 146 F3    PX       -0.00000    0.00002   -0.00000   -0.00000    0.00000
 147 F3    PY        0.00000   -0.00000    0.00000   -0.00001   -0.00000
 148 F3    PZ       -0.00000    0.00000    0.00000   -0.00001    0.00000
 149 F3    S'       -0.00011    0.00061   -0.00007    0.00012    0.00020
 150 F3    PX'       0.00002   -0.00010    0.00001    0.00003   -0.00006
 151 F3    PY'      -0.00001    0.00004   -0.00001    0.00003    0.00003
 152 F3    PZ'       0.00002   -0.00010    0.00001    0.00004   -0.00005
 153 F3    DXX       0.00002   -0.00012    0.00001   -0.00003   -0.00003
 154 F3    DYY       0.00002   -0.00011    0.00001   -0.00001   -0.00001
 155 F3    DZZ       0.00002   -0.00009    0.00001   -0.00003   -0.00002
 156 F3    DXY       0.00000   -0.00001    0.00000    0.00000   -0.00001
 157 F3    DXZ      -0.00000    0.00000    0.00000   -0.00002    0.00001
 158 F3    DYZ       0.00000   -0.00000   -0.00000    0.00001    0.00001
 159 Br1   S        -0.12431   -0.00062    0.00000    0.00000   -0.00039
 160 Br1   S        -0.47981   -0.00248    0.00000    0.00000   -0.00135
 161 Br1   PX        0.00191   -0.40823   -0.00388    0.00000    0.00120
 162 Br1   PY       -0.00002    0.00388   -0.40845    0.00000   -0.00001
 163 Br1   PZ        0.00000   -0.00000   -0.00000   -0.40843    0.00000
 164 Br1   S         1.07232    0.00548   -0.00000    0.00000    0.00438
 165 Br1   PX       -0.00494    1.07067    0.01018   -0.00000   -0.00353
 166 Br1   PY        0.00005   -0.01018    1.07154   -0.00000    0.00003
 167 Br1   PZ        0.00000    0.00000    0.00000    1.07146    0.00000
 168 Br1   S        -0.00216    0.00403   -0.00000    0.00000   -0.00034
 169 Br1   PX       -0.00061    0.01922    0.00015    0.00000    0.00331
 170 Br1   PY        0.00001   -0.00018    0.01587   -0.00000   -0.00003
 171 Br1   PZ        0.00000    0.00000    0.00000    0.01643    0.00000
 172 Br1   S         0.00155    0.00226    0.00000    0.00000    0.01391
 173 Br1   PX        0.00011   -0.00284   -0.00004    0.00000    0.01080
 174 Br1   PY       -0.00000    0.00003   -0.00428    0.00000   -0.00010
 175 Br1   PZ        0.00000    0.00000   -0.00000   -0.00425    0.00000
 176 Br1   DXX      -0.00622    0.00158    0.00002    0.00000    0.74686
 177 Br1   DYY      -0.00481   -0.00078   -0.00002    0.00000   -0.38061
 178 Br1   DZZ      -0.00476   -0.00078   -0.00000    0.00000   -0.36611
 179 Br1   DXY       0.00002   -0.00003    0.00141   -0.00000   -0.01194
 180 Br1   DXZ       0.00000    0.00000    0.00000    0.00144    0.00000
 181 Br1   DYZ       0.00000    0.00000    0.00000   -0.00001   -0.00000
 182 Br1   DXX      -0.00795    0.00170    0.00002    0.00000    0.38773
 183 Br1   DYY      -0.00648    0.00061   -0.00002    0.00000   -0.19679
 184 Br1   DZZ      -0.00645    0.00069   -0.00000    0.00000   -0.18929
 185 Br1   DXY       0.00002   -0.00001    0.00107   -0.00000   -0.00619
 186 Br1   DXZ       0.00000    0.00000    0.00000    0.00099    0.00000
 187 Br1   DYZ       0.00000    0.00000    0.00000   -0.00001   -0.00000
 188 Br1   DXX      -0.00312    0.00397    0.00000    0.00000    0.05230
 189 Br1   DYY      -0.00299    0.00179   -0.00000    0.00000   -0.02663
 190 Br1   DZZ      -0.00296    0.00161   -0.00000    0.00000   -0.02566
 191 Br1   DXY       0.00000   -0.00002    0.00000    0.00000   -0.00084
 192 Br1   DXZ       0.00000    0.00000    0.00000    0.00049    0.00000
 193 Br1   DYZ       0.00000    0.00000    0.00000   -0.00000   -0.00000
  MO:                  21         22         23         24         25    
  Eigenvalues:      -2.63963   -2.63941   -2.62917   -2.62915   -1.30569
          (ev)     -71.82804  -71.82207  -71.54335  -71.54276  -35.52974

                       A'         A"         A"         A'         A'     
   1 *C1   S1       -0.00000    0.00000    0.00000   -0.00009   -0.00017
   2 *C1   S        -0.00001    0.00000    0.00000   -0.00048   -0.00044
   3 *C1   PX        0.00001    0.00000   -0.00000    0.00023   -0.00023
   4 *C1   PY        0.00095   -0.00000    0.00000   -0.00000   -0.00001
   5 *C1   PZ        0.00000    0.00145    0.00000    0.00000    0.00000
   6 *C1   S'        0.00012    0.00000   -0.00000    0.00534    0.00821
   7 *C1   PX'       0.00001    0.00000    0.00000   -0.00071    0.00467
   8 *C1   PY'      -0.00490    0.00000    0.00000    0.00000    0.00017
   9 *C1   PZ'      -0.00000   -0.02512   -0.00006    0.00000    0.00000
  10 *C1   DXX       0.00001    0.00000    0.00000   -0.00016   -0.00015
  11 *C1   DYY      -0.00002    0.00000    0.00000   -0.00012   -0.00022
  12 *C1   DZZ       0.00000    0.00000    0.00000   -0.00013    0.00009
  13 *C1   DXY       0.00073   -0.00000    0.00000    0.00000    0.00001
  14 *C1   DXZ       0.00000   -0.00028   -0.00000    0.00000    0.00000
  15 *C1   DYZ       0.00000    0.00001   -0.00013   -0.00000    0.00000
  16 *C4   S1        0.00000    0.00000    0.00000    0.00000   -0.01129
  17 *C4   S         0.00001    0.00000    0.00000   -0.00001    0.01598
  18 *C4   PX       -0.00001    0.00000   -0.00000    0.00010    0.01927
  19 *C4   PY       -0.00010    0.00000    0.00000    0.00000    0.00060
  20 *C4   PZ        0.00000    0.00008   -0.00000    0.00000    0.00000
  21 *C4   S'       -0.00015    0.00000    0.00000   -0.00054    0.01557
  22 *C4   PX'      -0.00001    0.00000    0.00000   -0.00162    0.06021
  23 *C4   PY'       0.00070   -0.00000    0.00000    0.00008   -0.00033
  24 *C4   PZ'       0.00000    0.00615    0.00010    0.00000    0.00000
  25 *C4   DXX      -0.00001    0.00000    0.00000    0.00001    0.00945
  26 *C4   DYY       0.00000    0.00000    0.00000    0.00001   -0.00131
  27 *C4   DZZ      -0.00000    0.00000    0.00000   -0.00000   -0.00086
  28 *C4   DXY      -0.00001    0.00000    0.00000    0.00001    0.00033
  29 *C4   DXZ       0.00000   -0.00021    0.00000    0.00000    0.00000
  30 *C4   DYZ       0.00000    0.00001   -0.00002    0.00000    0.00000
  31 C2    S1        0.00000    0.00022    0.00000    0.00003   -0.00021
  32 C2    S         0.00001    0.00146    0.00000    0.00004   -0.00006
  33 C2    PX        0.00000    0.00049   -0.00000   -0.00029   -0.00035
  34 C2    PY       -0.00010   -0.00001   -0.00017    0.00000    0.00005
  35 C2    PZ       -0.00000   -0.00024    0.00000    0.00011   -0.00019
  36 C2    S'       -0.00009   -0.02052   -0.00004    0.00155   -0.01177
  37 C2    PX'       0.00000    0.00492    0.00003    0.00430   -0.00285
  38 C2    PY'       0.00188   -0.00006    0.00044   -0.00005   -0.00034
  39 C2    PZ'      -0.00005   -0.00881   -0.00003   -0.00141   -0.00419
  40 C2    DXX      -0.00000   -0.00067    0.00000    0.00032   -0.00007
  41 C2    DYY       0.00000    0.00031    0.00000    0.00010   -0.00026
  42 C2    DZZ      -0.00000    0.00002   -0.00000   -0.00007   -0.00008
  43 C2    DXY      -0.00010    0.00001    0.00004   -0.00000   -0.00003
  44 C2    DXZ       0.00000    0.00033    0.00000    0.00005   -0.00006
  45 C2    DYZ       0.00022   -0.00000   -0.00001   -0.00000   -0.00001
  46 *C2   S1        0.00000   -0.00022   -0.00000    0.00003   -0.00021
  47 *C2   S         0.00001   -0.00146   -0.00000    0.00004   -0.00006
  48 *C2   PX        0.00000   -0.00049    0.00000   -0.00029   -0.00035
  49 *C2   PY       -0.00010    0.00001    0.00017    0.00000    0.00005
  50 *C2   PZ        0.00000   -0.00024    0.00000   -0.00011    0.00019
  51 *C2   S'       -0.00009    0.02052    0.00004    0.00155   -0.01177
  52 *C2   PX'       0.00000   -0.00492   -0.00003    0.00430   -0.00285
  53 *C2   PY'       0.00188    0.00006   -0.00044   -0.00005   -0.00034
  54 *C2   PZ'       0.00005   -0.00881   -0.00003    0.00141    0.00419
  55 *C2   DXX      -0.00000    0.00067   -0.00000    0.00032   -0.00007
  56 *C2   DYY       0.00000   -0.00031   -0.00000    0.00010   -0.00026
  57 *C2   DZZ      -0.00000   -0.00002    0.00000   -0.00007   -0.00008
  58 *C2   DXY      -0.00010   -0.00001   -0.00004   -0.00000   -0.00003
  59 *C2   DXZ      -0.00000    0.00033    0.00000   -0.00005    0.00006
  60 *C2   DYZ      -0.00022   -0.00000   -0.00001    0.00000    0.00001
  61 *C3   S1       -0.00000    0.00011    0.00000    0.00005   -0.00203
  62 *C3   S        -0.00000    0.00071    0.00000    0.00029    0.00210
  63 *C3   PX       -0.00000    0.00016   -0.00000    0.00001    0.00251
  64 *C3   PY        0.00000   -0.00001   -0.00003   -0.00000   -0.00024
  65 *C3   PZ       -0.00000   -0.00019    0.00000    0.00007   -0.00112
  66 *C3   S'        0.00007   -0.00648   -0.00005   -0.00438    0.02097
  67 *C3   PX'      -0.00001    0.00001   -0.00002    0.00280   -0.01080
  68 *C3   PY'      -0.00064    0.00001    0.00023   -0.00004    0.00063
  69 *C3   PZ'      -0.00003    0.00555    0.00003   -0.00027   -0.02017
  70 *C3   DXX       0.00000   -0.00030   -0.00000   -0.00016   -0.00010
  71 *C3   DYY      -0.00000    0.00020    0.00000    0.00009   -0.00066
  72 *C3   DZZ       0.00000    0.00006   -0.00000    0.00004    0.00034
  73 *C3   DXY       0.00005    0.00001   -0.00003    0.00000   -0.00008
  74 *C3   DXZ      -0.00000    0.00004    0.00000    0.00000    0.00002
  75 *C3   DYZ       0.00000   -0.00000   -0.00000    0.00000   -0.00002
  76 C3    S1       -0.00000   -0.00011   -0.00000    0.00005   -0.00203
  77 C3    S        -0.00000   -0.00071   -0.00000    0.00029    0.00210
  78 C3    PX       -0.00000   -0.00016    0.00000    0.00001    0.00251
  79 C3    PY        0.00000    0.00001    0.00003   -0.00000   -0.00024
  80 C3    PZ        0.00000   -0.00019    0.00000   -0.00007    0.00112
  81 C3    S'        0.00007    0.00648    0.00005   -0.00438    0.02097
  82 C3    PX'      -0.00001   -0.00001    0.00002    0.00280   -0.01080
  83 C3    PY'      -0.00064   -0.00001   -0.00023   -0.00004    0.00063
  84 C3    PZ'       0.00003    0.00555    0.00003    0.00027    0.02017
  85 C3    DXX       0.00000    0.00030    0.00000   -0.00016   -0.00010
  86 C3    DYY      -0.00000   -0.00020   -0.00000    0.00009   -0.00066
  87 C3    DZZ       0.00000   -0.00006    0.00000    0.00004    0.00034
  88 C3    DXY       0.00005   -0.00001    0.00003    0.00000   -0.00008
  89 C3    DXZ       0.00000    0.00004    0.00000   -0.00000   -0.00002
  90 C3    DYZ      -0.00000   -0.00000   -0.00000   -0.00000    0.00002
  91 H2    S        -0.00000    0.00006    0.00000    0.00028   -0.00000
  92 H2    S'       -0.00001    0.00014   -0.00000   -0.00017   -0.00050
  93 *H2   S        -0.00000   -0.00006   -0.00000    0.00028   -0.00000
  94 *H2   S'       -0.00001   -0.00014    0.00000   -0.00017   -0.00050
  95 *H3   S        -0.00000   -0.00023   -0.00000    0.00008    0.00154
  96 *H3   S'        0.00001   -0.00115   -0.00000   -0.00014    0.01174
  97 H3    S        -0.00000    0.00023    0.00000    0.00008    0.00154
  98 H3    S'        0.00001    0.00115    0.00000   -0.00014    0.01174
  99 C7    S1       -0.00000    0.00000    0.00000    0.00002   -0.09929
 100 C7    S        -0.00003    0.00000    0.00000    0.00008    0.20534
 101 C7    PX        0.00001    0.00000    0.00000   -0.00008    0.06339
 102 C7    PY        0.00000    0.00000    0.00000   -0.00002   -0.00153
 103 C7    PZ        0.00000    0.00003   -0.00000    0.00000    0.00000
 104 C7    S'        0.00018    0.00000   -0.00000    0.00064   -0.04287
 105 C7    PX'      -0.00002    0.00000    0.00000   -0.00019    0.00967
 106 C7    PY'      -0.00040    0.00000    0.00000   -0.00032    0.00199
 107 C7    PZ'      -0.00000   -0.00220   -0.00010   -0.00000    0.00000
 108 C7    DXX      -0.00001    0.00000    0.00000    0.00005   -0.01383
 109 C7    DYY      -0.00001    0.00000    0.00000    0.00004   -0.00086
 110 C7    DZZ       0.00001    0.00000    0.00000    0.00006    0.00071
 111 C7    DXY       0.00000    0.00000    0.00000   -0.00001   -0.00095
 112 C7    DXZ       0.00000    0.00003   -0.00000    0.00000    0.00000
 113 C7    DYZ       0.00000    0.00002    0.00000    0.00000    0.00000
 114 F1    S1        0.00001    0.00004    0.00001    0.00002   -0.12190
 115 F1    S         0.00007    0.00025    0.00004    0.00013    0.26380
 116 F1    PX       -0.00000    0.00003   -0.00000   -0.00002   -0.02351
 117 F1    PY       -0.00001    0.00003    0.00000    0.00000    0.03285
 118 F1    PZ        0.00001   -0.00001    0.00000   -0.00000    0.05856
 119 F1    S'       -0.00028   -0.00123   -0.00014   -0.00046    0.27004
 120 F1    PX'       0.00003   -0.00004    0.00002    0.00008   -0.01580
 121 F1    PY'       0.00004   -0.00028   -0.00002   -0.00001    0.02171
 122 F1    PZ'      -0.00007   -0.00008   -0.00001   -0.00005    0.03919
 123 F1    DXX       0.00004    0.00019    0.00002    0.00009    0.00242
 124 F1    DYY       0.00005    0.00008    0.00002    0.00010    0.00390
 125 F1    DZZ       0.00003    0.00015    0.00003    0.00008    0.01227
 126 F1    DXY      -0.00000    0.00001    0.00000    0.00001   -0.00355
 127 F1    DXZ       0.00000   -0.00001    0.00000   -0.00000   -0.00610
 128 F1    DYZ       0.00001   -0.00001   -0.00000   -0.00001    0.00756
 129 F2    S1       -0.00001    0.00000    0.00000   -0.00002   -0.11372
 130 F2    S        -0.00005    0.00000    0.00000   -0.00013    0.24638
 131 F2    PX       -0.00001    0.00000    0.00000    0.00001   -0.01873
 132 F2    PY        0.00000    0.00000    0.00000    0.00001   -0.06527
 133 F2    PZ        0.00000   -0.00005   -0.00000    0.00000    0.00000
 134 F2    S'        0.00022    0.00000   -0.00000    0.00047    0.25035
 135 F2    PX'       0.00001    0.00000    0.00000   -0.00008   -0.01234
 136 F2    PY'      -0.00004    0.00000    0.00000   -0.00007   -0.04358
 137 F2    PZ'       0.00000    0.00038    0.00002    0.00000    0.00000
 138 F2    DXX      -0.00003    0.00000    0.00000   -0.00007    0.00186
 139 F2    DYY      -0.00002    0.00000    0.00000   -0.00010    0.01607
 140 F2    DZZ      -0.00002    0.00000    0.00000   -0.00009    0.00057
 141 F2    DXY      -0.00000    0.00000    0.00000    0.00001    0.00608
 142 F2    DXZ       0.00000   -0.00000   -0.00000    0.00000    0.00000
 143 F2    DYZ       0.00000   -0.00009   -0.00000    0.00000    0.00000
 144 F3    S1        0.00001   -0.00004   -0.00001    0.00002   -0.12190
 145 F3    S         0.00007   -0.00025   -0.00004    0.00013    0.26380
 146 F3    PX       -0.00000   -0.00003    0.00000   -0.00002   -0.02351
 147 F3    PY       -0.00001   -0.00003   -0.00000    0.00000    0.03285
 148 F3    PZ       -0.00001   -0.00001    0.00000    0.00000   -0.05856
 149 F3    S'       -0.00028    0.00123    0.00014   -0.00046    0.27004
 150 F3    PX'       0.00003    0.00004   -0.00002    0.00008   -0.01580
 151 F3    PY'       0.00004    0.00028    0.00002   -0.00001    0.02171
 152 F3    PZ'       0.00007   -0.00008   -0.00001    0.00005   -0.03919
 153 F3    DXX       0.00004   -0.00019   -0.00002    0.00009    0.00242
 154 F3    DYY       0.00005   -0.00008   -0.00002    0.00010    0.00390
 155 F3    DZZ       0.00003   -0.00015   -0.00003    0.00008    0.01227
 156 F3    DXY      -0.00000   -0.00001   -0.00000    0.00001   -0.00355
 157 F3    DXZ      -0.00000   -0.00001    0.00000    0.00000    0.00610
 158 F3    DYZ      -0.00001   -0.00001   -0.00000    0.00001   -0.00756
 159 Br1   S         0.00000    0.00000    0.00000    0.00001    0.00000
 160 Br1   S         0.00000    0.00000    0.00000    0.00007   -0.00001
 161 Br1   PX        0.00001    0.00000    0.00000   -0.00004    0.00001
 162 Br1   PY        0.00094   -0.00000    0.00000    0.00000   -0.00000
 163 Br1   PZ        0.00000    0.00102   -0.00000    0.00000    0.00000
 164 Br1   S        -0.00001    0.00000    0.00000    0.00000   -0.00002
 165 Br1   PX       -0.00002    0.00000   -0.00000    0.00012   -0.00005
 166 Br1   PY       -0.00267    0.00000    0.00000   -0.00000    0.00001
 167 Br1   PZ       -0.00000   -0.00292    0.00000    0.00000    0.00000
 168 Br1   S         0.00000    0.00000    0.00000   -0.00068    0.00015
 169 Br1   PX        0.00001    0.00000    0.00000   -0.00066    0.00029
 170 Br1   PY        0.00087   -0.00000    0.00000    0.00001   -0.00002
 171 Br1   PZ        0.00000    0.00173    0.00000    0.00000    0.00000
 172 Br1   S         0.00000    0.00000   -0.00000    0.00089    0.00064
 173 Br1   PX        0.00001    0.00000   -0.00000    0.00046    0.00044
 174 Br1   PY        0.00133   -0.00000    0.00000   -0.00000   -0.00000
 175 Br1   PZ        0.00000    0.00297    0.00000    0.00000    0.00000
 176 Br1   DXX       0.01186   -0.00000    0.00000   -0.00849    0.00000
 177 Br1   DYY      -0.01228    0.00000    0.00000   -0.64347    0.00000
 178 Br1   DZZ       0.00042    0.00000   -0.00000    0.65193    0.00000
 179 Br1   DXY       0.74716   -0.00000    0.00000   -0.00721    0.00000
 180 Br1   DXZ       0.00000    0.74727    0.00699    0.00000    0.00000
 181 Br1   DYZ      -0.00000   -0.00698    0.74795    0.00000    0.00000
 182 Br1   DXX       0.00616   -0.00000    0.00000   -0.00460    0.00002
 183 Br1   DYY      -0.00637    0.00000    0.00000   -0.33340    0.00006
 184 Br1   DZZ       0.00022    0.00000   -0.00000    0.33733    0.00006
 185 Br1   DXY       0.38771   -0.00000    0.00000   -0.00373    0.00000
 186 Br1   DXZ       0.00000    0.38743    0.00362    0.00000    0.00000
 187 Br1   DYZ      -0.00000   -0.00362    0.38731    0.00000    0.00000
 188 Br1   DXX       0.00077   -0.00000    0.00000   -0.00145    0.00031
 189 Br1   DYY      -0.00080    0.00000    0.00000   -0.04134    0.00011
 190 Br1   DZZ       0.00003    0.00000   -0.00000    0.04057    0.00011
 191 Br1   DXY       0.04854   -0.00000    0.00000   -0.00045   -0.00002
 192 Br1   DXZ       0.00000    0.05016    0.00044    0.00000    0.00000
 193 Br1   DYZ       0.00000   -0.00047    0.04715    0.00000    0.00000
  MO:                  26         27         28         29         30    
  Eigenvalues:      -1.22058   -1.21529   -0.89659   -0.83068   -0.77898
          (ev)     -33.21376  -33.06984  -24.39745  -22.60392  -21.19705

                       A"         A'         A'         A'         A"     
   1 *C1   S1        0.00000    0.00001   -0.10431    0.09275   -0.00000
   2 *C1   S         0.00000    0.00007    0.20405   -0.18598    0.00000
   3 *C1   PX        0.00000    0.00005    0.04382    0.05367    0.00000
   4 *C1   PY        0.00000    0.00004   -0.00066   -0.00038    0.00000
   5 *C1   PZ       -0.00022    0.00000    0.00000    0.00000   -0.12809
   6 *C1   S'        0.00000   -0.00163    0.13298   -0.13925   -0.00000
   7 *C1   PX'       0.00000   -0.00127    0.00257    0.02131    0.00000
   8 *C1   PY'       0.00000    0.00022   -0.00011   -0.00010   -0.00000
   9 *C1   PZ'       0.00745    0.00000    0.00000    0.00000   -0.02020
  10 *C1   DXX       0.00000    0.00001    0.00318   -0.00499    0.00000
  11 *C1   DYY       0.00000    0.00001   -0.01186    0.00920    0.00000
  12 *C1   DZZ       0.00000   -0.00002    0.00268    0.00109    0.00000
  13 *C1   DXY       0.00000    0.00002   -0.00019    0.00016    0.00000
  14 *C1   DXZ       0.00007    0.00000    0.00000    0.00000   -0.01057
  15 *C1   DYZ      -0.00002    0.00000    0.00000    0.00000    0.00013
  16 *C4   S1        0.00000   -0.00037   -0.09277   -0.10734    0.00000
  17 *C4   S         0.00000    0.00005    0.17984    0.21179    0.00000
  18 *C4   PX        0.00000    0.00084   -0.04305    0.00129   -0.00000
  19 *C4   PY        0.00000    0.00633    0.00161    0.00222    0.00000
  20 *C4   PZ        0.00773    0.00000    0.00000    0.00000   -0.11973
  21 *C4   S'        0.00000    0.00406    0.09952    0.14551    0.00000
  22 *C4   PX'       0.00000   -0.00623   -0.01917   -0.00529   -0.00000
  23 *C4   PY'      -0.00000    0.00727    0.00020   -0.00002    0.00000
  24 *C4   PZ'      -0.00670   -0.00000    0.00000    0.00000   -0.02045
  25 *C4   DXX       0.00000    0.00004    0.00140    0.00109    0.00000
  26 *C4   DYY       0.00000    0.00034   -0.01006   -0.01060    0.00000
  27 *C4   DZZ       0.00000   -0.00025    0.00308    0.00200    0.00000
  28 *C4   DXY       0.00000    0.00236   -0.00002    0.00016    0.00000
  29 *C4   DXZ       0.00250    0.00000    0.00000    0.00000    0.00998
  30 *C4   DYZ      -0.00027    0.00000    0.00000    0.00000   -0.00026
  31 C2    S1        0.00018   -0.00001   -0.08908    0.02331   -0.11387
  32 C2    S         0.00039   -0.00017    0.17080   -0.04556    0.22536
  33 C2    PX       -0.00038    0.00013    0.02051    0.06367    0.05707
  34 C2    PY        0.00004    0.00022   -0.00024   -0.00063   -0.00070
  35 C2    PZ       -0.00005    0.00007    0.05644   -0.03194   -0.00570
  36 C2    S'       -0.01033    0.00361    0.10200   -0.02897    0.16641
  37 C2    PX'      -0.01094    0.00178    0.00050    0.01301    0.00200
  38 C2    PY'      -0.00008   -0.00068    0.00001   -0.00019   -0.00025
  39 C2    PZ'       0.00433    0.00115    0.00549    0.00007   -0.01060
  40 C2    DXX      -0.00030    0.00022    0.00284    0.00263    0.00603
  41 C2    DYY       0.00015   -0.00002   -0.01022    0.00243   -0.01118
  42 C2    DZZ       0.00017   -0.00001    0.00363   -0.00446   -0.00244
  43 C2    DXY       0.00000    0.00000   -0.00015   -0.00000   -0.00021
  44 C2    DXZ      -0.00003    0.00004   -0.00051    0.00449    0.00216
  45 C2    DYZ      -0.00000   -0.00004    0.00002   -0.00006    0.00001
  46 *C2   S1       -0.00018   -0.00001   -0.08908    0.02331    0.11387
  47 *C2   S        -0.00039   -0.00017    0.17080   -0.04556   -0.22536
  48 *C2   PX        0.00038    0.00013    0.02051    0.06367   -0.05707
  49 *C2   PY       -0.00004    0.00022   -0.00024   -0.00063    0.00070
  50 *C2   PZ       -0.00005   -0.00007   -0.05644    0.03194   -0.00570
  51 *C2   S'        0.01033    0.00361    0.10200   -0.02897   -0.16641
  52 *C2   PX'       0.01094    0.00178    0.00050    0.01301   -0.00200
  53 *C2   PY'       0.00008   -0.00068    0.00001   -0.00019    0.00025
  54 *C2   PZ'       0.00433   -0.00115   -0.00549   -0.00007   -0.01060
  55 *C2   DXX       0.00030    0.00022    0.00284    0.00263   -0.00603
  56 *C2   DYY      -0.00015   -0.00002   -0.01022    0.00243    0.01118
  57 *C2   DZZ      -0.00017   -0.00001    0.00363   -0.00446    0.00244
  58 *C2   DXY      -0.00000    0.00000   -0.00015   -0.00000    0.00021
  59 *C2   DXZ      -0.00003   -0.00004    0.00051   -0.00449    0.00216
  60 *C2   DYZ      -0.00000    0.00004   -0.00002    0.00006    0.00001
  61 *C3   S1       -0.00155    0.00015   -0.08504   -0.05736    0.11263
  62 *C3   S         0.00170   -0.00017    0.16244    0.11243   -0.22279
  63 *C3   PX        0.00114   -0.00074   -0.02536    0.04041    0.05833
  64 *C3   PY       -0.00018    0.00031    0.00043   -0.00014   -0.00045
  65 *C3   PZ       -0.00024   -0.00016   -0.05073   -0.04622   -0.00887
  66 *C3   S'       -0.00348   -0.00368    0.10045    0.06969   -0.16570
  67 *C3   PX'       0.01805    0.00307   -0.00290    0.00906    0.00307
  68 *C3   PY'      -0.00073   -0.00012    0.00002    0.00012   -0.00034
  69 *C3   PZ'      -0.00665    0.00363   -0.00394    0.00245   -0.01077
  70 *C3   DXX       0.00028   -0.00062    0.00345   -0.00186   -0.00637
  71 *C3   DYY      -0.00043   -0.00007   -0.00986   -0.00595    0.01109
  72 *C3   DZZ       0.00039   -0.00007    0.00284    0.00500    0.00259
  73 *C3   DXY      -0.00019    0.00018   -0.00011    0.00003    0.00019
  74 *C3   DXZ      -0.00037   -0.00003   -0.00017   -0.00338   -0.00204
  75 *C3   DYZ       0.00000    0.00012   -0.00005   -0.00004    0.00007
  76 C3    S1        0.00155    0.00015   -0.08504   -0.05736   -0.11263
  77 C3    S        -0.00170   -0.00017    0.16244    0.11243    0.22279
  78 C3    PX       -0.00114   -0.00074   -0.02536    0.04041   -0.05833
  79 C3    PY        0.00018    0.00031    0.00043   -0.00014    0.00045
  80 C3    PZ       -0.00024    0.00016    0.05073    0.04622   -0.00887
  81 C3    S'        0.00348   -0.00368    0.10045    0.06969    0.16570
  82 C3    PX'      -0.01805    0.00307   -0.00290    0.00906   -0.00307
  83 C3    PY'       0.00073   -0.00012    0.00002    0.00012    0.00034
  84 C3    PZ'      -0.00665   -0.00363    0.00394   -0.00245   -0.01077
  85 C3    DXX      -0.00028   -0.00062    0.00345   -0.00186    0.00637
  86 C3    DYY       0.00043   -0.00007   -0.00986   -0.00595   -0.01109
  87 C3    DZZ      -0.00039   -0.00007    0.00284    0.00500   -0.00259
  88 C3    DXY       0.00019    0.00018   -0.00011    0.00003   -0.00019
  89 C3    DXZ      -0.00037    0.00003    0.00017    0.00338   -0.00204
  90 C3    DYZ       0.00000   -0.00012    0.00005    0.00004    0.00007
  91 H2    S         0.00019   -0.00000    0.03249   -0.01576    0.06552
  92 H2    S'        0.00030    0.00047    0.00235   -0.00128    0.00886
  93 *H2   S        -0.00019   -0.00000    0.03249   -0.01576   -0.06552
  94 *H2   S'       -0.00030    0.00047    0.00235   -0.00128   -0.00886
  95 *H3   S         0.00039   -0.00065    0.03076    0.02841   -0.06543
  96 *H3   S'        0.00357   -0.00344    0.00051   -0.00064   -0.00880
  97 H3    S        -0.00039   -0.00065    0.03076    0.02841    0.06543
  98 H3    S'       -0.00357   -0.00344    0.00051   -0.00064    0.00880
  99 C7    S1        0.00000   -0.00290   -0.02140   -0.04384    0.00000
 100 C7    S        -0.00000    0.00571    0.04400    0.09830   -0.00000
 101 C7    PX        0.00000   -0.00267   -0.05422   -0.09080    0.00000
 102 C7    PY       -0.00000    0.14608   -0.00081   -0.00188    0.00000
 103 C7    PZ        0.14753    0.00000    0.00000    0.00000   -0.01447
 104 C7    S'       -0.00000    0.00475    0.04193    0.05470    0.00000
 105 C7    PX'       0.00000   -0.00129   -0.01909   -0.02568    0.00000
 106 C7    PY'       0.00000   -0.00112    0.00012    0.00112    0.00000
 107 C7    PZ'      -0.00647    0.00000    0.00000    0.00000   -0.00461
 108 C7    DXX       0.00000   -0.00119    0.00472    0.00529    0.00000
 109 C7    DYY      -0.00000    0.02028   -0.00324   -0.00561    0.00000
 110 C7    DZZ       0.00000   -0.01914   -0.00297   -0.00510    0.00000
 111 C7    DXY      -0.00000    0.01793    0.00028    0.00041    0.00000
 112 C7    DXZ       0.01886    0.00000    0.00000    0.00000    0.00247
 113 C7    DYZ      -0.02110   -0.00000    0.00000    0.00000   -0.00010
 114 F1    S1        0.16216    0.09036    0.01032    0.01811    0.00489
 115 F1    S        -0.36341   -0.20317   -0.02220   -0.04088   -0.01082
 116 F1    PX        0.02888    0.01551   -0.01405   -0.03041   -0.00990
 117 F1    PY       -0.03292   -0.00448    0.00228    0.00859    0.00408
 118 F1    PZ       -0.04539   -0.03186    0.00347    0.01483    0.00144
 119 F1    S'       -0.34428   -0.19061   -0.03094   -0.05107   -0.01591
 120 F1    PX'       0.01525    0.00797   -0.00595   -0.01610   -0.00567
 121 F1    PY'      -0.01713   -0.00017    0.00124    0.00556    0.00181
 122 F1    PZ'      -0.02063   -0.01549    0.00153    0.00955   -0.00013
 123 F1    DXX      -0.00755   -0.00435    0.00100    0.00113    0.00070
 124 F1    DYY      -0.00810   -0.00324   -0.00005   -0.00078   -0.00005
 125 F1    DZZ      -0.01130   -0.00777    0.00026    0.00041   -0.00026
 126 F1    DXY       0.00280    0.00084   -0.00050   -0.00132   -0.00039
 127 F1    DXZ       0.00400    0.00237   -0.00078   -0.00225   -0.00012
 128 F1    DYZ      -0.00462   -0.00145    0.00029    0.00103   -0.00001
 129 F2    S1        0.00000   -0.19049    0.01019    0.01808    0.00000
 130 F2    S        -0.00000    0.42813   -0.02043   -0.03827    0.00000
 131 F2    PX        0.00000   -0.02980   -0.01283   -0.02784    0.00000
 132 F2    PY        0.00000   -0.06780   -0.00528   -0.01883    0.00000
 133 F2    PZ        0.01312    0.00000    0.00000    0.00000   -0.00443
 134 F2    S'       -0.00000    0.40015   -0.03334   -0.05602    0.00000
 135 F2    PX'       0.00000   -0.01497   -0.00459   -0.01336    0.00000
 136 F2    PY'       0.00000   -0.03137   -0.00202   -0.01105    0.00000
 137 F2    PZ'       0.00978    0.00000    0.00000    0.00000   -0.00212
 138 F2    DXX      -0.00000    0.00865    0.00153    0.00191    0.00000
 139 F2    DYY      -0.00000    0.01746    0.00129    0.00243    0.00000
 140 F2    DZZ      -0.00000    0.00699    0.00065    0.00011    0.00000
 141 F2    DXY       0.00000    0.00514    0.00086    0.00242    0.00000
 142 F2    DXZ      -0.00065    0.00000    0.00000    0.00000    0.00041
 143 F2    DYZ      -0.00182    0.00000    0.00000    0.00000    0.00020
 144 F3    S1       -0.16216    0.09036    0.01032    0.01811   -0.00489
 145 F3    S         0.36341   -0.20317   -0.02220   -0.04088    0.01082
 146 F3    PX       -0.02888    0.01551   -0.01405   -0.03041    0.00990
 147 F3    PY        0.03292   -0.00448    0.00228    0.00859   -0.00408
 148 F3    PZ       -0.04539    0.03186   -0.00347   -0.01483    0.00144
 149 F3    S'        0.34428   -0.19061   -0.03094   -0.05107    0.01591
 150 F3    PX'      -0.01525    0.00797   -0.00595   -0.01610    0.00567
 151 F3    PY'       0.01713   -0.00017    0.00124    0.00556   -0.00181
 152 F3    PZ'      -0.02063    0.01549   -0.00153   -0.00955   -0.00013
 153 F3    DXX       0.00755   -0.00435    0.00100    0.00113   -0.00070
 154 F3    DYY       0.00810   -0.00324   -0.00005   -0.00078    0.00005
 155 F3    DZZ       0.01130   -0.00777    0.00026    0.00041    0.00026
 156 F3    DXY      -0.00280    0.00084   -0.00050   -0.00132    0.00039
 157 F3    DXZ       0.00400   -0.00237    0.00078    0.00225   -0.00012
 158 F3    DYZ      -0.00462    0.00145   -0.00029   -0.00103   -0.00001
 159 Br1   S         0.00000   -0.00000   -0.00874    0.02447    0.00000
 160 Br1   S         0.00000    0.00001   -0.03226    0.09026    0.00000
 161 Br1   PX        0.00000   -0.00001    0.00795   -0.01351    0.00000
 162 Br1   PY        0.00000   -0.00000   -0.00008    0.00013    0.00000
 163 Br1   PZ       -0.00002    0.00000    0.00000    0.00000   -0.00202
 164 Br1   S         0.00000    0.00003    0.09518   -0.26681   -0.00000
 165 Br1   PX        0.00000    0.00002   -0.02607    0.04437    0.00000
 166 Br1   PY        0.00000    0.00001    0.00025   -0.00043    0.00000
 167 Br1   PZ        0.00008    0.00000    0.00000    0.00000    0.00664
 168 Br1   S         0.00000   -0.00004   -0.18387    0.52894    0.00000
 169 Br1   PX        0.00000   -0.00013    0.05137   -0.08931   -0.00000
 170 Br1   PY        0.00000   -0.00005   -0.00050    0.00086    0.00000
 171 Br1   PZ       -0.00043    0.00000    0.00000    0.00000   -0.01306
 172 Br1   S         0.00000    0.00004    0.02652   -0.10002   -0.00000
 173 Br1   PX        0.00000    0.00002   -0.00339    0.00272    0.00000
 174 Br1   PY        0.00000    0.00008    0.00003   -0.00002    0.00000
 175 Br1   PZ        0.00044    0.00000    0.00000    0.00000   -0.00215
 176 Br1   DXX       0.00000   -0.00000   -0.00937    0.01721    0.00000
 177 Br1   DYY       0.00000    0.00000    0.00334   -0.00444    0.00000
 178 Br1   DZZ       0.00000    0.00000    0.00295   -0.00402    0.00000
 179 Br1   DXY       0.00000    0.00000    0.00014   -0.00024    0.00000
 180 Br1   DXZ      -0.00000    0.00000    0.00000    0.00000    0.00272
 181 Br1   DYZ      -0.00000    0.00000    0.00000    0.00000   -0.00003
 182 Br1   DXX       0.00000   -0.00003   -0.00163    0.00174    0.00000
 183 Br1   DYY       0.00000   -0.00002    0.00255   -0.00464    0.00000
 184 Br1   DZZ       0.00000   -0.00003    0.00236   -0.00432    0.00000
 185 Br1   DXY       0.00000    0.00000    0.00005   -0.00007    0.00000
 186 Br1   DXZ       0.00001    0.00000    0.00000    0.00000    0.00080
 187 Br1   DYZ       0.00000    0.00000    0.00000    0.00000   -0.00001
 188 Br1   DXX       0.00000   -0.00013    0.01415   -0.02046    0.00000
 189 Br1   DYY       0.00000   -0.00011   -0.00642    0.01571    0.00000
 190 Br1   DZZ       0.00000   -0.00008   -0.00561    0.01434    0.00000
 191 Br1   DXY       0.00000   -0.00001   -0.00023    0.00040    0.00000
 192 Br1   DXZ      -0.00010    0.00000    0.00000    0.00000   -0.00389
 193 Br1   DYZ      -0.00000    0.00000    0.00000    0.00000    0.00004
  MO:                  31         32         33         34         35    
  Eigenvalues:      -0.76810   -0.69484   -0.64394   -0.62473   -0.58382
          (ev)     -20.90108  -18.90768  -17.52253  -16.99983  -15.88655

                       A'         A'         A"         A'         A'     
   1 *C1   S1       -0.04158   -0.07230   -0.00000    0.08687    0.00300
   2 *C1   S         0.08370    0.15076    0.00000   -0.18582   -0.00595
   3 *C1   PX        0.12751    0.05546    0.00000   -0.02570   -0.00995
   4 *C1   PY       -0.00141   -0.00069    0.00000    0.00027    0.00218
   5 *C1   PZ        0.00000    0.00000   -0.21431    0.00000   -0.00000
   6 *C1   S'        0.05586    0.11437    0.00000   -0.14960    0.00494
   7 *C1   PX'       0.02549    0.00096    0.00000    0.02477   -0.00553
   8 *C1   PY'      -0.00048    0.00053   -0.00000    0.00037    0.00067
   9 *C1   PZ'       0.00000    0.00000   -0.04788    0.00000   -0.00000
  10 *C1   DXX      -0.00807   -0.00688    0.00000    0.00533   -0.00092
  11 *C1   DYY      -0.00442   -0.00612    0.00000    0.00642    0.00042
  12 *C1   DZZ       0.00693    0.00397    0.00000    0.00160    0.00160
  13 *C1   DXY      -0.00000    0.00002    0.00000    0.00003    0.00022
  14 *C1   DXZ       0.00000    0.00000   -0.00761    0.00000    0.00000
  15 *C1   DYZ       0.00000    0.00000    0.00015    0.00000    0.00000
  16 *C4   S1        0.08319    0.02968    0.00000    0.06598    0.01032
  17 *C4   S        -0.16907   -0.05758   -0.00000   -0.13786   -0.01510
  18 *C4   PX       -0.08535    0.14123    0.00000   -0.08170    0.04419
  19 *C4   PY       -0.00261    0.00162    0.00000   -0.00226    0.05612
  20 *C4   PZ        0.00000   -0.00000    0.21436    0.00000   -0.00000
  21 *C4   S'       -0.12097   -0.04185   -0.00000   -0.08427   -0.07010
  22 *C4   PX'      -0.03175    0.01280    0.00000   -0.03452    0.00590
  23 *C4   PY'       0.00097   -0.00258    0.00000   -0.00326    0.02632
  24 *C4   PZ'      -0.00000    0.00000    0.04493   -0.00000   -0.00000
  25 *C4   DXX      -0.00290    0.01256    0.00000    0.00286    0.00071
  26 *C4   DYY       0.00731    0.00242    0.00000    0.00461    0.00196
  27 *C4   DZZ       0.00212   -0.00722    0.00000    0.00796    0.00055
  28 *C4   DXY      -0.00038    0.00037    0.00000   -0.00029    0.00665
  29 *C4   DXZ       0.00000    0.00000   -0.00598    0.00000   -0.00000
  30 *C4   DYZ       0.00000    0.00000    0.00045    0.00000    0.00000
  31 C2    S1       -0.06901   -0.02823   -0.08530   -0.02448   -0.00798
  32 C2    S         0.13548    0.05786    0.17619    0.05183    0.01564
  33 C2    PX        0.01231   -0.07888   -0.11135    0.12012   -0.00745
  34 C2    PY       -0.00026    0.00105    0.00098   -0.00147    0.00403
  35 C2    PZ        0.03428    0.04885    0.00766   -0.11559   -0.02705
  36 C2    S'        0.11189    0.04520    0.13082    0.01951    0.03477
  37 C2    PX'       0.00998   -0.01874   -0.05199    0.01202    0.00789
  38 C2    PY'       0.00011   -0.00055    0.00101   -0.00113    0.00141
  39 C2    PZ'       0.00167    0.01020   -0.02466   -0.03454   -0.01824
  40 C2    DXX      -0.00248   -0.00671   -0.00667    0.00584    0.00036
  41 C2    DYY      -0.00707   -0.00240   -0.00709   -0.00174   -0.00069
  42 C2    DZZ       0.00356    0.00627    0.00375   -0.00675    0.00002
  43 C2    DXY      -0.00005    0.00005    0.00006   -0.00013    0.00045
  44 C2    DXZ       0.00057   -0.00312    0.00111    0.00526   -0.00018
  45 C2    DYZ       0.00001    0.00004    0.00004   -0.00006    0.00016
  46 *C2   S1       -0.06901   -0.02823    0.08530   -0.02448   -0.00798
  47 *C2   S         0.13548    0.05786   -0.17619    0.05183    0.01564
  48 *C2   PX        0.01231   -0.07888    0.11135    0.12012   -0.00745
  49 *C2   PY       -0.00026    0.00105   -0.00098   -0.00147    0.00403
  50 *C2   PZ       -0.03428   -0.04885    0.00766    0.11559    0.02705
  51 *C2   S'        0.11189    0.04520   -0.13082    0.01951    0.03477
  52 *C2   PX'       0.00998   -0.01874    0.05199    0.01202    0.00789
  53 *C2   PY'       0.00011   -0.00055   -0.00101   -0.00113    0.00141
  54 *C2   PZ'      -0.00167   -0.01020   -0.02466    0.03454    0.01824
  55 *C2   DXX      -0.00248   -0.00671    0.00667    0.00584    0.00036
  56 *C2   DYY      -0.00707   -0.00240    0.00709   -0.00174   -0.00069
  57 *C2   DZZ       0.00356    0.00627   -0.00375   -0.00675    0.00002
  58 *C2   DXY      -0.00005    0.00005   -0.00006   -0.00013    0.00045
  59 *C2   DXZ      -0.00057    0.00312    0.00111   -0.00526    0.00018
  60 *C2   DYZ      -0.00001   -0.00004    0.00004    0.00006   -0.00016
  61 *C3   S1       -0.00501    0.05841   -0.08412   -0.05524   -0.00010
  62 *C3   S         0.01018   -0.11642    0.17317    0.11512   -0.00023
  63 *C3   PX       -0.09041   -0.01869    0.11834   -0.08782   -0.00027
  64 *C3   PY        0.00046    0.00087   -0.00148    0.00036    0.01466
  65 *C3   PZ        0.02797    0.02204   -0.00559    0.08841    0.03957
  66 *C3   S'       -0.00952   -0.09974    0.13416    0.10871   -0.00396
  67 *C3   PX'      -0.00550   -0.01279    0.05592   -0.03462    0.02257
  68 *C3   PY'      -0.00069    0.00210    0.00066    0.00215    0.00386
  69 *C3   PZ'       0.00296    0.01000    0.02505    0.04488   -0.00565
  70 *C3   DXX       0.00344    0.00562   -0.00633    0.00092    0.00112
  71 *C3   DYY      -0.00055    0.00558   -0.00704   -0.00425   -0.00008
  72 *C3   DZZ      -0.00412   -0.00503    0.00384   -0.00303   -0.00072
  73 *C3   DXY      -0.00016    0.00018    0.00002    0.00009    0.00096
  74 *C3   DXZ       0.00505    0.00015    0.00098    0.00491    0.00009
  75 *C3   DYZ       0.00004   -0.00008   -0.00007   -0.00008   -0.00115
  76 C3    S1       -0.00501    0.05841    0.08412   -0.05524   -0.00010
  77 C3    S         0.01018   -0.11642   -0.17317    0.11512   -0.00023
  78 C3    PX       -0.09041   -0.01869   -0.11834   -0.08782   -0.00027
  79 C3    PY        0.00046    0.00087    0.00148    0.00036    0.01466
  80 C3    PZ       -0.02797   -0.02204   -0.00559   -0.08841   -0.03957
  81 C3    S'       -0.00952   -0.09974   -0.13416    0.10871   -0.00396
  82 C3    PX'      -0.00550   -0.01279   -0.05592   -0.03462    0.02257
  83 C3    PY'      -0.00069    0.00210   -0.00066    0.00215    0.00386
  84 C3    PZ'      -0.00296   -0.01000    0.02505   -0.04488    0.00565
  85 C3    DXX       0.00344    0.00562    0.00633    0.00092    0.00112
  86 C3    DYY      -0.00055    0.00558    0.00704   -0.00425   -0.00008
  87 C3    DZZ      -0.00412   -0.00503   -0.00384   -0.00303   -0.00072
  88 C3    DXY      -0.00016    0.00018   -0.00002    0.00009    0.00096
  89 C3    DXZ      -0.00505   -0.00015    0.00098   -0.00491   -0.00009
  90 C3    DYZ      -0.00004    0.00008   -0.00007    0.00008    0.00115
  91 H2    S         0.03209    0.01944    0.08785    0.03773    0.01914
  92 H2    S'        0.00536    0.00534    0.02114    0.01433    0.00636
  93 *H2   S         0.03209    0.01944   -0.08785    0.03773    0.01914
  94 *H2   S'        0.00536    0.00534   -0.02114    0.01433    0.00636
  95 *H3   S        -0.00421   -0.03859    0.08917    0.05839    0.01696
  96 *H3   S'        0.00151   -0.01984    0.01974    0.01074    0.02365
  97 H3    S        -0.00421   -0.03859   -0.08917    0.05839    0.01696
  98 H3    S'        0.00151   -0.01984   -0.01974    0.01074    0.02365
  99 C7    S1        0.07784   -0.12175   -0.00000   -0.02709   -0.00523
 100 C7    S        -0.18246    0.29852    0.00000    0.07606    0.01217
 101 C7    PX        0.11059    0.01944    0.00000    0.24477   -0.04839
 102 C7    PY        0.00357   -0.00551    0.00000    0.00378    0.34429
 103 C7    PZ        0.00000    0.00000    0.09082    0.00000   -0.00000
 104 C7    S'       -0.07835    0.14208   -0.00000    0.00999    0.02401
 105 C7    PX'       0.03599   -0.04051    0.00000    0.05169   -0.02208
 106 C7    PY'      -0.00270    0.00082    0.00000    0.00437    0.08100
 107 C7    PZ'       0.00000    0.00000    0.03105    0.00000   -0.00000
 108 C7    DXX      -0.00252   -0.00847    0.00000   -0.00636   -0.00158
 109 C7    DYY       0.00821   -0.00794    0.00000    0.00088    0.01066
 110 C7    DZZ       0.00769   -0.00787    0.00000    0.00135   -0.00960
 111 C7    DXY      -0.00039   -0.00046    0.00000   -0.00041    0.01746
 112 C7    DXZ       0.00000    0.00000   -0.00339    0.00000   -0.00000
 113 C7    DYZ       0.00000    0.00000   -0.00195    0.00000    0.00000
 114 F1    S1       -0.02971    0.05063   -0.01697    0.02469   -0.02663
 115 F1    S         0.06815   -0.11146    0.03352   -0.05085    0.04806
 116 F1    PX        0.05496   -0.06890    0.05785    0.04147    0.07021
 117 F1    PY       -0.02573    0.08620   -0.04334    0.08752    0.06370
 118 F1    PZ       -0.04729    0.16267   -0.03295    0.15071   -0.24552
 119 F1    S'        0.08356   -0.15757    0.06956   -0.08669    0.11659
 120 F1    PX'       0.03125   -0.03806    0.03373    0.02730    0.03890
 121 F1    PY'      -0.01662    0.05340   -0.02289    0.05276    0.04646
 122 F1    PZ'      -0.03097    0.10154   -0.01530    0.09100   -0.14504
 123 F1    DXX      -0.00094   -0.00015   -0.00372   -0.00338   -0.00367
 124 F1    DYY       0.00147    0.00051   -0.00202    0.00284    0.00250
 125 F1    DZZ      -0.00186    0.00962   -0.00121    0.00946   -0.01539
 126 F1    DXY       0.00249   -0.00323    0.00213    0.00069   -0.00269
 127 F1    DXZ       0.00447   -0.00625    0.00155    0.00149    0.00549
 128 F1    DYZ      -0.00286    0.00813   -0.00113    0.00644    0.00197
 129 F2    S1       -0.02993    0.05029    0.00000    0.02399    0.05416
 130 F2    S         0.06471   -0.10875   -0.00000   -0.04717   -0.09875
 131 F2    PX        0.05046   -0.06002    0.00000    0.05209   -0.19448
 132 F2    PY        0.05470   -0.17508   -0.00000   -0.16346   -0.32872
 133 F2    PZ        0.00000    0.00000    0.03881    0.00000   -0.00000
 134 F2    S'        0.09236   -0.16048   -0.00000   -0.08911   -0.23519
 135 F2    PX'       0.02657   -0.03181    0.00000    0.03465   -0.11157
 136 F2    PY'       0.03409   -0.10841   -0.00000   -0.09778   -0.18501
 137 F2    PZ'       0.00000    0.00000    0.02148    0.00000   -0.00000
 138 F2    DXX      -0.00212    0.00046    0.00000   -0.00223    0.00963
 139 F2    DYY      -0.00545    0.01444    0.00000    0.01313    0.01696
 140 F2    DZZ       0.00078   -0.00234    0.00000    0.00080    0.00646
 141 F2    DXY      -0.00465    0.00587    0.00000   -0.00274    0.00992
 142 F2    DXZ       0.00000    0.00000   -0.00168    0.00000    0.00000
 143 F2    DYZ       0.00000    0.00000   -0.00192    0.00000    0.00000
 144 F3    S1       -0.02971    0.05063    0.01697    0.02469   -0.02663
 145 F3    S         0.06815   -0.11146   -0.03352   -0.05085    0.04806
 146 F3    PX        0.05496   -0.06890   -0.05785    0.04147    0.07021
 147 F3    PY       -0.02573    0.08620    0.04334    0.08752    0.06370
 148 F3    PZ        0.04729   -0.16267   -0.03295   -0.15071    0.24552
 149 F3    S'        0.08356   -0.15757   -0.06956   -0.08669    0.11659
 150 F3    PX'       0.03125   -0.03806   -0.03373    0.02730    0.03890
 151 F3    PY'      -0.01662    0.05340    0.02289    0.05276    0.04646
 152 F3    PZ'       0.03097   -0.10154   -0.01530   -0.09100    0.14504
 153 F3    DXX      -0.00094   -0.00015    0.00372   -0.00338   -0.00367
 154 F3    DYY       0.00147    0.00051    0.00202    0.00284    0.00250
 155 F3    DZZ      -0.00186    0.00962    0.00121    0.00946   -0.01539
 156 F3    DXY       0.00249   -0.00323   -0.00213    0.00069   -0.00269
 157 F3    DXZ      -0.00447    0.00625    0.00155   -0.00149   -0.00549
 158 F3    DYZ       0.00286   -0.00813   -0.00113   -0.00644   -0.00197
 159 Br1   S         0.02539    0.01216    0.00000   -0.00886    0.00038
 160 Br1   S         0.09376    0.04495    0.00000   -0.03288    0.00151
 161 Br1   PX       -0.00359    0.00592    0.00000   -0.01207    0.00057
 162 Br1   PY        0.00003   -0.00006    0.00000    0.00011    0.00006
 163 Br1   PZ        0.00000    0.00000   -0.00579    0.00000   -0.00000
 164 Br1   S        -0.27685   -0.13264   -0.00000    0.09652   -0.00404
 165 Br1   PX        0.01186   -0.01945   -0.00000    0.03979   -0.00188
 166 Br1   PY       -0.00011    0.00019    0.00000   -0.00036   -0.00021
 167 Br1   PZ        0.00000    0.00000    0.01910    0.00000    0.00000
 168 Br1   S         0.56164    0.27569    0.00000   -0.20494    0.00835
 169 Br1   PX       -0.02711    0.03699    0.00000   -0.07862    0.00314
 170 Br1   PY        0.00025   -0.00039    0.00000    0.00070    0.00044
 171 Br1   PZ        0.00000    0.00000   -0.03895    0.00000   -0.00000
 172 Br1   S        -0.13043   -0.08079   -0.00000    0.07536   -0.00149
 173 Br1   PX       -0.00027    0.00047    0.00000   -0.00471    0.00123
 174 Br1   PY        0.00003   -0.00004    0.00000    0.00001    0.00013
 175 Br1   PZ        0.00000    0.00000   -0.00909    0.00000   -0.00000
 176 Br1   DXX       0.00868   -0.00136    0.00000    0.00566   -0.00016
 177 Br1   DYY       0.00040    0.00313    0.00000   -0.00450    0.00024
 178 Br1   DZZ       0.00020    0.00278    0.00000   -0.00455    0.00005
 179 Br1   DXY      -0.00009    0.00005    0.00000   -0.00011   -0.00005
 180 Br1   DXZ       0.00000    0.00000    0.00581    0.00000    0.00000
 181 Br1   DYZ       0.00000    0.00000   -0.00006    0.00000    0.00000
 182 Br1   DXX      -0.00106   -0.00204    0.00000    0.00298   -0.00033
 183 Br1   DYY      -0.00292   -0.00044    0.00000   -0.00003   -0.00028
 184 Br1   DZZ      -0.00291   -0.00055    0.00000    0.00001   -0.00040
 185 Br1   DXY      -0.00002    0.00003    0.00000   -0.00003   -0.00001
 186 Br1   DXZ       0.00000    0.00000    0.00187    0.00000    0.00000
 187 Br1   DYZ       0.00000    0.00000   -0.00002    0.00000    0.00000
 188 Br1   DXX      -0.00495    0.00721    0.00000   -0.01223   -0.00120
 189 Br1   DYY       0.01174    0.00270    0.00000    0.00176   -0.00127
 190 Br1   DZZ       0.01169    0.00316    0.00000    0.00163   -0.00061
 191 Br1   DXY       0.00019   -0.00009    0.00000    0.00011    0.00008
 192 Br1   DXZ       0.00000    0.00000   -0.01025    0.00000   -0.00000
 193 Br1   DYZ       0.00000    0.00000    0.00011    0.00000    0.00000
  MO:                  36         37         38         39         40    
  Eigenvalues:      -0.58272   -0.57794   -0.49620   -0.48747   -0.47840
          (ev)     -15.85675  -15.72658  -13.50240  -13.26466  -13.01780

                       A"         A'         A'         A"         A'     
   1 *C1   S1        0.00000    0.02705   -0.06150    0.00000    0.04049
   2 *C1   S        -0.00000   -0.05626    0.13125   -0.00000   -0.08760
   3 *C1   PX       -0.00000   -0.05274   -0.17421    0.00000   -0.11127
   4 *C1   PY        0.00000    0.00007    0.00016    0.00000    0.00331
   5 *C1   PZ        0.08487   -0.00000    0.00000    0.26783    0.00000
   6 *C1   S'        0.00000   -0.04628    0.19029    0.00000   -0.12990
   7 *C1   PX'      -0.00000   -0.01794   -0.06099    0.00000   -0.03399
   8 *C1   PY'       0.00000   -0.00021    0.00056    0.00000    0.00125
   9 *C1   PZ'       0.01745    0.00000    0.00000    0.07848    0.00000
  10 *C1   DXX       0.00000   -0.00384   -0.00192    0.00000   -0.00439
  11 *C1   DYY       0.00000    0.00270   -0.00337    0.00000    0.00292
  12 *C1   DZZ       0.00000    0.00821   -0.00216    0.00000    0.01129
  13 *C1   DXY       0.00000    0.00004   -0.00005    0.00000    0.00024
  14 *C1   DXZ       0.00111    0.00000    0.00000    0.00022    0.00000
  15 *C1   DYZ       0.00011    0.00000    0.00000   -0.00016    0.00000
  16 *C4   S1        0.00000    0.03708   -0.01123    0.00000   -0.07447
  17 *C4   S        -0.00000   -0.08105    0.03008   -0.00000    0.15707
  18 *C4   PX        0.00000    0.21762   -0.03299    0.00000   -0.06362
  19 *C4   PY        0.00000   -0.01028   -0.01106    0.00000    0.01282
  20 *C4   PZ        0.00608    0.00000    0.00000    0.25240    0.00000
  21 *C4   S'       -0.00000   -0.05925    0.01648   -0.00000    0.27009
  22 *C4   PX'       0.00000    0.01798    0.09122   -0.00000    0.04115
  23 *C4   PY'       0.00000   -0.00397   -0.01400    0.00000    0.01561
  24 *C4   PZ'       0.02451   -0.00000   -0.00000    0.03607    0.00000
  25 *C4   DXX       0.00000    0.00329   -0.01331    0.00000   -0.00351
  26 *C4   DYY       0.00000    0.00269   -0.00047    0.00000   -0.00455
  27 *C4   DZZ       0.00000   -0.00132    0.01432    0.00000   -0.00624
  28 *C4   DXY       0.00000   -0.00091   -0.00095    0.00000    0.00122
  29 *C4   DXZ       0.00862    0.00000    0.00000   -0.00064    0.00000
  30 *C4   DYZ       0.00061    0.00000    0.00000   -0.00059    0.00000
  31 C2    S1        0.01702   -0.04382    0.03778   -0.00575   -0.02948
  32 C2    S        -0.03474    0.09042   -0.07844    0.01258    0.05946
  33 C2    PX        0.06819   -0.02524   -0.12332    0.21677   -0.12056
  34 C2    PY       -0.00131   -0.00100   -0.00064   -0.00167    0.00363
  35 C2    PZ       -0.01353   -0.15283   -0.02087   -0.13354   -0.19685
  36 C2    S'       -0.03836    0.12359   -0.12241    0.00474    0.05635
  37 C2    PX'       0.02238   -0.00137   -0.05843    0.07587   -0.07361
  38 C2    PY'       0.00217    0.00003   -0.00121   -0.00264    0.00182
  39 C2    PZ'      -0.00386   -0.05570   -0.02078   -0.03547   -0.05070
  40 C2    DXX       0.00267    0.00055    0.00355    0.00274   -0.00105
  41 C2    DYY       0.00149   -0.00303    0.00309   -0.00010   -0.00235
  42 C2    DZZ      -0.00200    0.00005    0.00143   -0.00302    0.00285
  43 C2    DXY       0.00011   -0.00010   -0.00018   -0.00012    0.00027
  44 C2    DXZ      -0.00040    0.00156   -0.00859    0.00355    0.01393
  45 C2    DYZ       0.00001    0.00001    0.00001   -0.00006    0.00002
  46 *C2   S1       -0.01702   -0.04382    0.03778    0.00575   -0.02948
  47 *C2   S         0.03474    0.09042   -0.07844   -0.01258    0.05946
  48 *C2   PX       -0.06819   -0.02524   -0.12332   -0.21677   -0.12056
  49 *C2   PY        0.00131   -0.00100   -0.00064    0.00167    0.00363
  50 *C2   PZ       -0.01353    0.15283    0.02087   -0.13354    0.19685
  51 *C2   S'        0.03836    0.12359   -0.12241   -0.00474    0.05635
  52 *C2   PX'      -0.02238   -0.00137   -0.05843   -0.07587   -0.07361
  53 *C2   PY'      -0.00217    0.00003   -0.00121    0.00264    0.00182
  54 *C2   PZ'      -0.00386    0.05570    0.02078   -0.03547    0.05070
  55 *C2   DXX      -0.00267    0.00055    0.00355   -0.00274   -0.00105
  56 *C2   DYY      -0.00149   -0.00303    0.00309    0.00010   -0.00235
  57 *C2   DZZ       0.00200    0.00005    0.00143    0.00302    0.00285
  58 *C2   DXY      -0.00011   -0.00010   -0.00018    0.00012    0.00027
  59 *C2   DXZ      -0.00040   -0.00156    0.00859    0.00355   -0.01393
  60 *C2   DYZ       0.00001   -0.00001   -0.00001   -0.00006   -0.00002
  61 *C3   S1        0.02939   -0.00070   -0.03071    0.00117    0.03078
  62 *C3   S        -0.06194    0.00277    0.05974   -0.00641   -0.06274
  63 *C3   PX        0.00812   -0.01802    0.19705    0.22246    0.02309
  64 *C3   PY        0.00016   -0.00318   -0.00668   -0.00315    0.00636
  65 *C3   PZ       -0.02550    0.17771    0.10486   -0.11953   -0.15008
  66 *C3   S'       -0.06483   -0.02002    0.14640    0.03355   -0.05444
  67 *C3   PX'       0.00075    0.02777    0.03203    0.08715   -0.04470
  68 *C3   PY'       0.00615   -0.00222    0.00065   -0.00650    0.00199
  69 *C3   PZ'       0.00122    0.06677    0.01014   -0.05441   -0.03553
  70 *C3   DXX       0.00218    0.00784   -0.00696   -0.00213   -0.00151
  71 *C3   DYY       0.00206    0.00052   -0.00260   -0.00059    0.00264
  72 *C3   DZZ      -0.00075   -0.00533    0.00964    0.00331    0.00252
  73 *C3   DXY       0.00008   -0.00049    0.00015   -0.00018    0.00042
  74 *C3   DXZ      -0.00184    0.00026    0.00441   -0.00223   -0.01536
  75 *C3   DYZ       0.00007    0.00011    0.00001   -0.00000    0.00012
  76 C3    S1       -0.02939   -0.00070   -0.03071   -0.00117    0.03078
  77 C3    S         0.06194    0.00277    0.05974    0.00641   -0.06274
  78 C3    PX       -0.00812   -0.01802    0.19705   -0.22246    0.02309
  79 C3    PY       -0.00016   -0.00318   -0.00668    0.00315    0.00636
  80 C3    PZ       -0.02550   -0.17771   -0.10486   -0.11953    0.15008
  81 C3    S'        0.06483   -0.02002    0.14640   -0.03355   -0.05444
  82 C3    PX'      -0.00075    0.02777    0.03203   -0.08715   -0.04470
  83 C3    PY'      -0.00615   -0.00222    0.00065    0.00650    0.00199
  84 C3    PZ'       0.00122   -0.06677   -0.01014   -0.05441    0.03553
  85 C3    DXX      -0.00218    0.00784   -0.00696    0.00213   -0.00151
  86 C3    DYY      -0.00206    0.00052   -0.00260    0.00059    0.00264
  87 C3    DZZ       0.00075   -0.00533    0.00964   -0.00331    0.00252
  88 C3    DXY      -0.00008   -0.00049    0.00015    0.00018    0.00042
  89 C3    DXZ      -0.00184   -0.00026   -0.00441   -0.00223    0.01536
  90 C3    DYZ       0.00007   -0.00011   -0.00001   -0.00000   -0.00012
  91 H2    S        -0.02558    0.10688    0.00317    0.00982    0.16640
  92 H2    S'       -0.01145    0.04972    0.00174    0.01197    0.11802
  93 *H2   S         0.02558    0.10688    0.00317   -0.00982    0.16640
  94 *H2   S'        0.01145    0.04972    0.00174   -0.01197    0.11802
  95 *H3   S        -0.03302    0.06962    0.13660    0.00373   -0.10572
  96 *H3   S'       -0.02408    0.03427    0.09731    0.00548   -0.07905
  97 H3    S         0.03302    0.06962    0.13660   -0.00373   -0.10572
  98 H3    S'        0.02408    0.03427    0.09731   -0.00548   -0.07905
  99 C7    S1       -0.00000   -0.01536    0.01978   -0.00000    0.00940
 100 C7    S         0.00000    0.03275   -0.04663    0.00000   -0.01964
 101 C7    PX       -0.00000   -0.21747    0.10841   -0.00000    0.00935
 102 C7    PY        0.00000   -0.07411   -0.01274    0.00000    0.01825
 103 C7    PZ        0.33738   -0.00000   -0.00000   -0.03753   -0.00000
 104 C7    S'        0.00000    0.05955   -0.09879    0.00000   -0.07024
 105 C7    PX'      -0.00000   -0.08794    0.10354   -0.00000    0.08077
 106 C7    PY'       0.00000   -0.02158    0.01874   -0.00000   -0.00724
 107 C7    PZ'       0.07356    0.00000    0.00000    0.02233    0.00000
 108 C7    DXX       0.00000   -0.00601    0.00999   -0.00000    0.01474
 109 C7    DYY       0.00000   -0.00389   -0.00660    0.00000    0.00313
 110 C7    DZZ      -0.00000    0.00140    0.00347    0.00000   -0.01224
 111 C7    DXY       0.00000   -0.00293    0.00294    0.00000   -0.00375
 112 C7    DXZ       0.02007    0.00000    0.00000   -0.01998   -0.00000
 113 C7    DYZ      -0.01146    0.00000    0.00000   -0.00261    0.00000
 114 F1    S1       -0.04485   -0.00173    0.00391    0.00153   -0.00256
 115 F1    S         0.07988   -0.00032   -0.00902   -0.00151    0.00774
 116 F1    PX        0.16191   -0.13228    0.08905    0.07913    0.17031
 117 F1    PY       -0.22383   -0.06589    0.06686    0.09340   -0.05695
 118 F1    PZ       -0.21162   -0.05147    0.02333    0.07133    0.04751
 119 F1    S'        0.19728    0.01344   -0.01539   -0.00076   -0.00071
 120 F1    PX'       0.09153   -0.08480    0.05404    0.05711    0.11246
 121 F1    PY'      -0.13319   -0.03945    0.04204    0.06678   -0.04157
 122 F1    PZ'      -0.11666   -0.03010    0.01071    0.04556    0.03035
 123 F1    DXX      -0.00843    0.00431   -0.00234   -0.00417   -0.00297
 124 F1    DYY      -0.01232   -0.00440    0.00119    0.00469   -0.00022
 125 F1    DZZ      -0.00908   -0.00474    0.00025    0.00233    0.00410
 126 F1    DXY       0.00639   -0.00255    0.00146    0.00057    0.00357
 127 F1    DXZ       0.00582   -0.00623    0.00418    0.00161    0.00439
 128 F1    DYZ      -0.00748   -0.00391    0.00190    0.00347   -0.00124
 129 F2    S1        0.00000   -0.01878    0.00032    0.00000    0.00159
 130 F2    S        -0.00000    0.02930    0.00598    0.00000    0.00110
 131 F2    PX       -0.00000   -0.06761    0.17929   -0.00000    0.02565
 132 F2    PY       -0.00000    0.16638   -0.02973    0.00000   -0.01894
 133 F2    PZ        0.18441   -0.00000   -0.00000   -0.09108   -0.00000
 134 F2    S'       -0.00000    0.09105   -0.02134    0.00000   -0.01543
 135 F2    PX'      -0.00000   -0.04736    0.11912   -0.00000    0.01317
 136 F2    PY'      -0.00000    0.09403   -0.01292    0.00000   -0.00747
 137 F2    PZ'       0.11768   -0.00000   -0.00000   -0.07046   -0.00000
 138 F2    DXX       0.00000   -0.00044   -0.00152    0.00000    0.00275
 139 F2    DYY       0.00000   -0.01265    0.00501    0.00000    0.00196
 140 F2    DZZ       0.00000   -0.00422    0.00428    0.00000    0.00122
 141 F2    DXY       0.00000    0.00449   -0.00791    0.00000   -0.00110
 142 F2    DXZ      -0.00466    0.00000    0.00000    0.00031    0.00000
 143 F2    DYZ      -0.01099    0.00000    0.00000    0.00588    0.00000
 144 F3    S1        0.04485   -0.00173    0.00391   -0.00153   -0.00256
 145 F3    S        -0.07988   -0.00032   -0.00902    0.00151    0.00774
 146 F3    PX       -0.16191   -0.13228    0.08905   -0.07913    0.17031
 147 F3    PY        0.22383   -0.06589    0.06686   -0.09340   -0.05695
 148 F3    PZ       -0.21162    0.05147   -0.02333    0.07133   -0.04751
 149 F3    S'       -0.19728    0.01344   -0.01539    0.00076   -0.00071
 150 F3    PX'      -0.09153   -0.08480    0.05404   -0.05711    0.11246
 151 F3    PY'       0.13319   -0.03945    0.04204   -0.06678   -0.04157
 152 F3    PZ'      -0.11666    0.03010   -0.01071    0.04556   -0.03035
 153 F3    DXX       0.00843    0.00431   -0.00234    0.00417   -0.00297
 154 F3    DYY       0.01232   -0.00440    0.00119   -0.00469   -0.00022
 155 F3    DZZ       0.00908   -0.00474    0.00025   -0.00233    0.00410
 156 F3    DXY      -0.00639   -0.00255    0.00146   -0.00057    0.00357
 157 F3    DXZ       0.00582    0.00623   -0.00418    0.00161   -0.00439
 158 F3    DYZ      -0.00748    0.00391   -0.00190    0.00347    0.00124
 159 Br1   S         0.00000    0.00088    0.00904    0.00000    0.00188
 160 Br1   S         0.00000    0.00342    0.03330   -0.00000    0.00715
 161 Br1   PX        0.00000    0.00088    0.03997   -0.00000    0.00665
 162 Br1   PY        0.00000   -0.00003   -0.00044    0.00000    0.00003
 163 Br1   PZ        0.00294    0.00000    0.00000    0.01256    0.00000
 164 Br1   S        -0.00000   -0.00930   -0.09941    0.00000   -0.02020
 165 Br1   PX       -0.00000   -0.00286   -0.13244    0.00000   -0.02206
 166 Br1   PY        0.00000    0.00009    0.00147    0.00000   -0.00011
 167 Br1   PZ       -0.00971    0.00000   -0.00000   -0.04165   -0.00000
 168 Br1   S         0.00000    0.01910    0.21401   -0.00000    0.04544
 169 Br1   PX        0.00000    0.00505    0.28220   -0.00000    0.04796
 170 Br1   PY        0.00000   -0.00016   -0.00314    0.00000    0.00020
 171 Br1   PZ        0.02010   -0.00000    0.00000    0.08825    0.00000
 172 Br1   S        -0.00000   -0.00092   -0.10904    0.00000   -0.00622
 173 Br1   PX        0.00000    0.00326    0.04888   -0.00000    0.01616
 174 Br1   PY        0.00000   -0.00009   -0.00066    0.00000    0.00010
 175 Br1   PZ        0.00623    0.00000    0.00000    0.02990    0.00000
 176 Br1   DXX       0.00000    0.00028   -0.01528    0.00000   -0.00091
 177 Br1   DYY       0.00000    0.00054    0.00948    0.00000    0.00201
 178 Br1   DZZ       0.00000   -0.00052    0.00914    0.00000   -0.00028
 179 Br1   DXY       0.00000    0.00002    0.00031    0.00000   -0.00003
 180 Br1   DXZ      -0.00250    0.00000    0.00000   -0.00796    0.00000
 181 Br1   DYZ       0.00003    0.00000    0.00000    0.00007    0.00000
 182 Br1   DXX       0.00000   -0.00043   -0.00464    0.00000   -0.00067
 183 Br1   DYY       0.00000   -0.00058    0.00137    0.00000   -0.00003
 184 Br1   DZZ       0.00000   -0.00103    0.00125    0.00000   -0.00083
 185 Br1   DXY       0.00000    0.00000    0.00009    0.00000   -0.00001
 186 Br1   DXZ      -0.00089    0.00000    0.00000   -0.00277    0.00000
 187 Br1   DYZ       0.00001    0.00000    0.00000    0.00003    0.00000
 188 Br1   DXX       0.00000   -0.00353    0.03346   -0.00000    0.00154
 189 Br1   DYY       0.00000   -0.00247   -0.00704    0.00000   -0.00360
 190 Br1   DZZ       0.00000    0.00001   -0.00641    0.00000    0.00123
 191 Br1   DXY       0.00000    0.00000   -0.00057    0.00000    0.00006
 192 Br1   DXZ       0.00511    0.00000    0.00000    0.01733    0.00000
 193 Br1   DYZ      -0.00004    0.00000    0.00000   -0.00017    0.00000
  MO:                  41         42         43         44         45    
  Eigenvalues:      -0.45875   -0.45851   -0.45487   -0.42628   -0.41857
          (ev)     -12.48327  -12.47671  -12.37761  -11.59970  -11.38992

                       A'         A"         A"         A'         A"     
   1 *C1   S1        0.01908    0.00000   -0.00000   -0.00222    0.00000
   2 *C1   S        -0.04075    0.00000    0.00000    0.00480    0.00000
   3 *C1   PX        0.01571    0.00000    0.00000   -0.00050    0.00000
   4 *C1   PY       -0.01226    0.00000   -0.00000    0.07576   -0.00000
   5 *C1   PZ       -0.00000    0.09218   -0.08283   -0.00000    0.02017
   6 *C1   S'       -0.05244    0.00000    0.00000    0.00654   -0.00000
   7 *C1   PX'       0.00394    0.00000    0.00000   -0.00002    0.00000
   8 *C1   PY'      -0.00459    0.00000   -0.00000    0.04425   -0.00000
   9 *C1   PZ'       0.00000    0.02999    0.03744    0.00000   -0.00793
  10 *C1   DXX      -0.00214    0.00000    0.00000    0.00048   -0.00000
  11 *C1   DYY       0.00114    0.00000    0.00000   -0.00017    0.00000
  12 *C1   DZZ       0.00398    0.00000    0.00000   -0.00057    0.00000
  13 *C1   DXY      -0.00049    0.00000    0.00000    0.00233    0.00000
  14 *C1   DXZ      -0.00000    0.00452   -0.01302    0.00000   -0.00468
  15 *C1   DYZ       0.00000    0.00032    0.00016    0.00000    0.00025
  16 *C4   S1       -0.01506    0.00000    0.00000    0.00155    0.00000
  17 *C4   S         0.04776   -0.00000   -0.00000   -0.00683    0.00000
  18 *C4   PX       -0.02375    0.00000    0.00000    0.01425    0.00000
  19 *C4   PY       -0.04305    0.00000    0.00000    0.11887   -0.00000
  20 *C4   PZ        0.00000    0.08086   -0.08046   -0.00000    0.05713
  21 *C4   S'       -0.05662    0.00000   -0.00000    0.02008    0.00000
  22 *C4   PX'       0.01318    0.00000   -0.00000   -0.00412    0.00000
  23 *C4   PY'      -0.06380    0.00000    0.00000    0.06789   -0.00000
  24 *C4   PZ'      -0.00000   -0.15960   -0.03794    0.00000    0.08554
  25 *C4   DXX       0.00249    0.00000    0.00000   -0.00032    0.00000
  26 *C4   DYY      -0.00178    0.00000    0.00000    0.00021    0.00000
  27 *C4   DZZ      -0.00030    0.00000    0.00000   -0.00037    0.00000
  28 *C4   DXY      -0.00455    0.00000    0.00000   -0.00166    0.00000
  29 *C4   DXZ       0.00000   -0.00606    0.01229    0.00000   -0.00232
  30 *C4   DYZ       0.00000    0.00363    0.00048    0.00000    0.00116
  31 C2    S1       -0.01381   -0.00005   -0.01613    0.00122   -0.01122
  32 C2    S         0.02647   -0.00535    0.03731   -0.00208    0.02308
  33 C2    PX       -0.02377    0.00568    0.16069    0.00725    0.08136
  34 C2    PY       -0.01288   -0.00332   -0.00124    0.07003   -0.00270
  35 C2    PZ       -0.04108   -0.09660    0.19883    0.00554    0.02738
  36 C2    S'        0.05603    0.02773    0.07182   -0.00573    0.06963
  37 C2    PX'       0.00206    0.02190    0.02616    0.00146    0.06305
  38 C2    PY'      -0.00751    0.00387    0.00099    0.03172    0.00112
  39 C2    PZ'      -0.02073   -0.00651    0.09011    0.00298   -0.01127
  40 C2    DXX      -0.00177    0.00023    0.00395    0.00029    0.00125
  41 C2    DYY      -0.00146   -0.00075   -0.00067    0.00015   -0.00082
  42 C2    DZZ       0.00115    0.00242   -0.01032   -0.00028   -0.00354
  43 C2    DXY      -0.00076    0.00010   -0.00003    0.00182   -0.00003
  44 C2    DXZ       0.00505    0.00249   -0.00253   -0.00074   -0.00017
  45 C2    DYZ      -0.00058    0.00003   -0.00003    0.00289    0.00001
  46 *C2   S1       -0.01381    0.00005    0.01613    0.00122    0.01122
  47 *C2   S         0.02647    0.00535   -0.03731   -0.00208   -0.02308
  48 *C2   PX       -0.02377   -0.00568   -0.16069    0.00725   -0.08136
  49 *C2   PY       -0.01288    0.00332    0.00124    0.07003    0.00270
  50 *C2   PZ        0.04108   -0.09660    0.19883   -0.00554    0.02738
  51 *C2   S'        0.05603   -0.02773   -0.07182   -0.00573   -0.06963
  52 *C2   PX'       0.00206   -0.02190   -0.02616    0.00146   -0.06305
  53 *C2   PY'      -0.00751   -0.00387   -0.00099    0.03172   -0.00112
  54 *C2   PZ'       0.02073   -0.00651    0.09011   -0.00298   -0.01127
  55 *C2   DXX      -0.00177   -0.00023   -0.00395    0.00029   -0.00125
  56 *C2   DYY      -0.00146    0.00075    0.00067    0.00015    0.00082
  57 *C2   DZZ       0.00115   -0.00242    0.01032   -0.00028    0.00354
  58 *C2   DXY      -0.00076   -0.00010    0.00003    0.00182    0.00003
  59 *C2   DXZ      -0.00505    0.00249   -0.00253    0.00074   -0.00017
  60 *C2   DYZ       0.00058    0.00003   -0.00003   -0.00289    0.00001
  61 *C3   S1        0.01554   -0.01100    0.01874   -0.00180   -0.00857
  62 *C3   S        -0.03370    0.01938   -0.04495    0.00452    0.01921
  63 *C3   PX       -0.01525    0.01910    0.15769   -0.00081    0.10593
  64 *C3   PY       -0.02153    0.00495   -0.00219    0.08581    0.00232
  65 *C3   PZ       -0.06591   -0.07305    0.19339    0.01246    0.02226
  66 *C3   S'       -0.03206    0.15601   -0.04255   -0.00110    0.03027
  67 *C3   PX'       0.01502    0.01761    0.04636   -0.00342   -0.03045
  68 *C3   PY'      -0.00198    0.01587    0.00211    0.05412    0.00888
  69 *C3   PZ'      -0.05961   -0.08532    0.04794    0.01375    0.05872
  70 *C3   DXX       0.00169    0.00121   -0.00347    0.00002   -0.00321
  71 *C3   DYY       0.00077   -0.00111    0.00059   -0.00005   -0.00045
  72 *C3   DZZ      -0.00032   -0.00107    0.01069   -0.00029    0.00424
  73 *C3   DXY      -0.00022    0.00073    0.00012   -0.00007    0.00066
  74 *C3   DXZ      -0.00491   -0.00134    0.00204    0.00054    0.00100
  75 *C3   DYZ       0.00049    0.00007   -0.00011   -0.00398    0.00006
  76 C3    S1        0.01554    0.01100   -0.01874   -0.00180    0.00857
  77 C3    S        -0.03370   -0.01938    0.04495    0.00452   -0.01921
  78 C3    PX       -0.01525   -0.01910   -0.15769   -0.00081   -0.10593
  79 C3    PY       -0.02153   -0.00495    0.00219    0.08581   -0.00232
  80 C3    PZ        0.06591   -0.07305    0.19339   -0.01246    0.02226
  81 C3    S'       -0.03206   -0.15601    0.04255   -0.00110   -0.03027
  82 C3    PX'       0.01502   -0.01761   -0.04636   -0.00342    0.03045
  83 C3    PY'      -0.00198   -0.01587   -0.00211    0.05412   -0.00888
  84 C3    PZ'       0.05961   -0.08532    0.04794   -0.01375    0.05872
  85 C3    DXX       0.00169   -0.00121    0.00347    0.00002    0.00321
  86 C3    DYY       0.00077    0.00111   -0.00059   -0.00005    0.00045
  87 C3    DZZ      -0.00032    0.00107   -0.01069   -0.00029   -0.00424
  88 C3    DXY      -0.00022   -0.00073   -0.00012   -0.00007   -0.00066
  89 C3    DXZ       0.00491   -0.00134    0.00204   -0.00054    0.00100
  90 C3    DYZ      -0.00049    0.00007   -0.00011    0.00398    0.00006
  91 H2    S         0.04400    0.04911   -0.13644   -0.00682   -0.03040
  92 H2    S'        0.03033    0.04956   -0.11312   -0.00541   -0.03357
  93 *H2   S         0.04400   -0.04911    0.13644   -0.00682    0.03040
  94 *H2   S'        0.03033   -0.04956    0.11312   -0.00541    0.03357
  95 *H3   S        -0.05128   -0.02243    0.13106    0.00641    0.04818
  96 *H3   S'       -0.00902   -0.01139    0.12511   -0.00207   -0.00352
  97 H3    S        -0.05128    0.02243   -0.13106    0.00641   -0.04818
  98 H3    S'       -0.00902    0.01139   -0.12511   -0.00207    0.00352
  99 C7    S1        0.00121   -0.00000    0.00000   -0.00071    0.00000
 100 C7    S        -0.00206    0.00000    0.00000    0.00024    0.00000
 101 C7    PX       -0.00053   -0.00000    0.00000   -0.01061   -0.00000
 102 C7    PY       -0.05956    0.00000    0.00000   -0.04749    0.00000
 103 C7    PZ       -0.00000   -0.06431   -0.02959    0.00000    0.02367
 104 C7    S'        0.00187    0.00000    0.00000    0.00647    0.00000
 105 C7    PX'      -0.00189    0.00000   -0.00000   -0.00439    0.00000
 106 C7    PY'       0.07386   -0.00000   -0.00000    0.09895   -0.00000
 107 C7    PZ'       0.00000    0.14106    0.05762   -0.00000   -0.08097
 108 C7    DXX       0.00156    0.00000    0.00000    0.00201    0.00000
 109 C7    DYY      -0.02931    0.00000    0.00000   -0.01724    0.00000
 110 C7    DZZ       0.03026   -0.00000   -0.00000    0.01479    0.00000
 111 C7    DXY       0.01584   -0.00000   -0.00000   -0.02567    0.00000
 112 C7    DXZ       0.00000    0.00853   -0.00205    0.00000    0.02186
 113 C7    DYZ       0.00000    0.03508    0.01273   -0.00000   -0.01259
 114 F1    S1        0.00107    0.00092   -0.00187   -0.00152    0.00202
 115 F1    S        -0.00246   -0.01428    0.00175    0.00375   -0.00603
 116 F1    PX       -0.15676   -0.26868    0.00182    0.14367   -0.31701
 117 F1    PY        0.30839   -0.15742   -0.04736    0.26235   -0.02410
 118 F1    PZ       -0.14813    0.15710    0.12499    0.05041   -0.30641
 119 F1    S'        0.00704    0.05345    0.02610    0.01992   -0.02473
 120 F1    PX'      -0.11134   -0.19420   -0.00338    0.09573   -0.21435
 121 F1    PY'       0.21125   -0.09978   -0.02856    0.17047   -0.02269
 122 F1    PZ'      -0.10170    0.11064    0.08667    0.04266   -0.20955
 123 F1    DXX       0.00436    0.00176   -0.00175   -0.00482    0.00880
 124 F1    DYY       0.00719   -0.01313   -0.00364    0.00294    0.00056
 125 F1    DZZ      -0.01043   -0.00118    0.00308    0.00269   -0.01120
 126 F1    DXY      -0.00547   -0.00308    0.00076   -0.00296   -0.00547
 127 F1    DXZ      -0.00338   -0.00984   -0.00259    0.00382   -0.00390
 128 F1    DYZ       0.00718   -0.00141    0.00134    0.00630   -0.00614
 129 F2    S1       -0.00289    0.00000    0.00000    0.00214    0.00000
 130 F2    S         0.00957   -0.00000   -0.00000   -0.00506    0.00000
 131 F2    PX        0.32032   -0.00000   -0.00000   -0.29194    0.00000
 132 F2    PY        0.06019    0.00000   -0.00000    0.34424   -0.00000
 133 F2    PZ        0.00000    0.37518    0.13196   -0.00000   -0.20001
 134 F2    S'       -0.01775    0.00000    0.00000   -0.04011   -0.00000
 135 F2    PX'       0.22962   -0.00000   -0.00000   -0.19420    0.00000
 136 F2    PY'       0.04195    0.00000   -0.00000    0.24217   -0.00000
 137 F2    PZ'       0.00000    0.24689    0.08526   -0.00000   -0.12783
 138 F2    DXX      -0.00661    0.00000    0.00000    0.00972    0.00000
 139 F2    DYY       0.00150    0.00000    0.00000   -0.01552    0.00000
 140 F2    DZZ       0.00644    0.00000    0.00000    0.00398    0.00000
 141 F2    DXY      -0.01246    0.00000    0.00000    0.00533    0.00000
 142 F2    DXZ       0.00000   -0.00269   -0.00154    0.00000    0.00446
 143 F2    DYZ      -0.00000   -0.01197   -0.00357    0.00000    0.00413
 144 F3    S1        0.00107   -0.00092    0.00187   -0.00152   -0.00202
 145 F3    S        -0.00246    0.01428   -0.00175    0.00375    0.00603
 146 F3    PX       -0.15676    0.26868   -0.00182    0.14367    0.31701
 147 F3    PY        0.30839    0.15742    0.04736    0.26235    0.02410
 148 F3    PZ        0.14813    0.15710    0.12499   -0.05041   -0.30641
 149 F3    S'        0.00704   -0.05345   -0.02610    0.01992    0.02473
 150 F3    PX'      -0.11134    0.19420    0.00338    0.09573    0.21435
 151 F3    PY'       0.21125    0.09978    0.02856    0.17047    0.02269
 152 F3    PZ'       0.10170    0.11064    0.08667   -0.04266   -0.20955
 153 F3    DXX       0.00436   -0.00176    0.00175   -0.00482   -0.00880
 154 F3    DYY       0.00719    0.01313    0.00364    0.00294   -0.00056
 155 F3    DZZ      -0.01043    0.00118   -0.00308    0.00269    0.01120
 156 F3    DXY      -0.00547    0.00308   -0.00076   -0.00296    0.00547
 157 F3    DXZ       0.00338   -0.00984   -0.00259   -0.00382   -0.00390
 158 F3    DYZ      -0.00718   -0.00141    0.00134   -0.00630   -0.00614
 159 Br1   S        -0.00111    0.00000    0.00000    0.00008    0.00000
 160 Br1   S        -0.00387    0.00000   -0.00000    0.00028   -0.00000
 161 Br1   PX       -0.00799    0.00000   -0.00000    0.00103   -0.00000
 162 Br1   PY       -0.00061    0.00000    0.00000    0.00577   -0.00000
 163 Br1   PZ        0.00000    0.00242    0.00406    0.00000    0.00491
 164 Br1   S         0.01258    0.00000    0.00000   -0.00101    0.00000
 165 Br1   PX        0.02653    0.00000    0.00000   -0.00342    0.00000
 166 Br1   PY        0.00203    0.00000    0.00000   -0.01917    0.00000
 167 Br1   PZ       -0.00000   -0.00802   -0.01344   -0.00000   -0.01634
 168 Br1   S        -0.02632   -0.00000   -0.00000    0.00195   -0.00000
 169 Br1   PX       -0.05806   -0.00000   -0.00000    0.00756   -0.00000
 170 Br1   PY       -0.00430    0.00000   -0.00000    0.04106   -0.00000
 171 Br1   PZ        0.00000    0.01738    0.02743    0.00000    0.03596
 172 Br1   S         0.02229    0.00000    0.00000   -0.00270    0.00000
 173 Br1   PX       -0.00868    0.00000   -0.00000    0.00119   -0.00000
 174 Br1   PY       -0.00177    0.00000    0.00000    0.01411   -0.00000
 175 Br1   PZ        0.00000    0.00278    0.01220    0.00000    0.01221
 176 Br1   DXX       0.00314    0.00000    0.00000   -0.00041    0.00000
 177 Br1   DYY      -0.00145    0.00000    0.00000    0.00018    0.00000
 178 Br1   DZZ      -0.00204    0.00000    0.00000    0.00024    0.00000
 179 Br1   DXY       0.00032    0.00000    0.00000   -0.00262    0.00000
 180 Br1   DXZ       0.00000   -0.00175   -0.00101    0.00000   -0.00174
 181 Br1   DYZ       0.00000    0.00002    0.00002    0.00000    0.00002
 182 Br1   DXX       0.00045    0.00000    0.00000   -0.00004    0.00000
 183 Br1   DYY      -0.00063    0.00000    0.00000    0.00009    0.00000
 184 Br1   DZZ      -0.00091    0.00000    0.00000    0.00013    0.00000
 185 Br1   DXY       0.00011    0.00000    0.00000   -0.00073    0.00000
 186 Br1   DXZ       0.00000   -0.00049   -0.00008    0.00000   -0.00061
 187 Br1   DYZ       0.00000   -0.00000    0.00000    0.00000    0.00000
 188 Br1   DXX      -0.00878    0.00000    0.00000    0.00114   -0.00000
 189 Br1   DYY      -0.00071    0.00000    0.00000    0.00010    0.00000
 190 Br1   DZZ       0.00094    0.00000    0.00000   -0.00011    0.00000
 191 Br1   DXY      -0.00073    0.00000    0.00000    0.00502    0.00000
 192 Br1   DXZ       0.00000    0.00321    0.00031    0.00000    0.00418
 193 Br1   DYZ       0.00000   -0.00001   -0.00002    0.00000   -0.00003
  MO:                  46         47         48         49         50    
  Eigenvalues:      -0.40373   -0.40185   -0.40111   -0.38011   -0.36716
          (ev)     -10.98601  -10.93488  -10.91485  -10.34332   -9.99102

                       A'         A"         A'         A"         A'     
   1 *C1   S1        0.00441    0.00000    0.00185   -0.00000    0.00280
   2 *C1   S        -0.01668    0.00000   -0.00548    0.00000   -0.01535
   3 *C1   PX       -0.26064    0.00000   -0.04916    0.00000   -0.16247
   4 *C1   PY       -0.04680   -0.00000    0.26445    0.00000   -0.00479
   5 *C1   PZ       -0.00000   -0.03052   -0.00000   -0.24717    0.00000
   6 *C1   S'        0.03267    0.00000    0.00499    0.00000    0.07374
   7 *C1   PX'      -0.08050    0.00000   -0.01458    0.00000   -0.02463
   8 *C1   PY'      -0.02764   -0.00000    0.14883    0.00000   -0.00314
   9 *C1   PZ'       0.00000   -0.02051    0.00000   -0.09452    0.00000
  10 *C1   DXX       0.01599    0.00000    0.00320    0.00000    0.01931
  11 *C1   DYY       0.00040    0.00000   -0.00004    0.00000   -0.00012
  12 *C1   DZZ      -0.00754    0.00000   -0.00126    0.00000   -0.01084
  13 *C1   DXY      -0.00110    0.00000    0.00453    0.00000   -0.00020
  14 *C1   DXZ       0.00000   -0.00162    0.00000   -0.00774    0.00000
  15 *C1   DYZ       0.00000    0.00003    0.00000    0.00011    0.00000
  16 *C4   S1        0.02086    0.00000    0.00449    0.00000   -0.00767
  17 *C4   S        -0.04909    0.00000   -0.00714   -0.00000    0.01868
  18 *C4   PX       -0.21008    0.00000   -0.04587    0.00000    0.25333
  19 *C4   PY       -0.02991   -0.00000    0.14436    0.00000    0.00035
  20 *C4   PZ        0.00000    0.02556   -0.00000    0.27695   -0.00000
  21 *C4   S'       -0.13297   -0.00000   -0.04837   -0.00000    0.12228
  22 *C4   PX'      -0.12769   -0.00000   -0.01969    0.00000    0.09435
  23 *C4   PY'      -0.01270   -0.00000    0.07565    0.00000   -0.00614
  24 *C4   PZ'       0.00000    0.04627    0.00000    0.07601    0.00000
  25 *C4   DXX      -0.00118    0.00000    0.00005    0.00000    0.01839
  26 *C4   DYY       0.00242    0.00000    0.00055    0.00000   -0.00225
  27 *C4   DZZ      -0.00010    0.00000    0.00051    0.00000   -0.01186
  28 *C4   DXY       0.00122    0.00000   -0.00838    0.00000    0.00013
  29 *C4   DXZ       0.00000   -0.00151    0.00000   -0.00985    0.00000
  30 *C4   DYZ       0.00000    0.00020    0.00000    0.00078    0.00000
  31 C2    S1        0.01585   -0.00085    0.00246    0.00338   -0.00265
  32 C2    S        -0.03390    0.00189   -0.00569    0.00036    0.01208
  33 C2    PX        0.08008    0.00606    0.01694    0.00047    0.20575
  34 C2    PY       -0.04015   -0.00017    0.20393    0.00004   -0.00569
  35 C2    PZ       -0.07156    0.03235   -0.01685    0.21916   -0.00550
  36 C2    S'       -0.05710    0.00940   -0.00601   -0.05004   -0.04148
  37 C2    PX'       0.00538    0.01317    0.00421   -0.02261    0.05672
  38 C2    PY'      -0.02086   -0.00009    0.11475    0.00021   -0.00358
  39 C2    PZ'      -0.03256    0.00076   -0.00906    0.06085   -0.02907
  40 C2    DXX       0.01048    0.00009    0.00206    0.00042    0.00718
  41 C2    DYY       0.00097   -0.00013    0.00002    0.00098    0.00076
  42 C2    DZZ      -0.00870   -0.00138   -0.00174   -0.00696   -0.01159
  43 C2    DXY      -0.00058   -0.00002    0.00200   -0.00010   -0.00002
  44 C2    DXZ       0.00227   -0.00213    0.00085   -0.01936   -0.00426
  45 C2    DYZ      -0.00180    0.00002    0.00941    0.00016   -0.00022
  46 *C2   S1        0.01585    0.00085    0.00246   -0.00338   -0.00265
  47 *C2   S        -0.03390   -0.00189   -0.00569   -0.00036    0.01208
  48 *C2   PX        0.08008   -0.00606    0.01694   -0.00047    0.20575
  49 *C2   PY       -0.04015    0.00017    0.20393   -0.00004   -0.00569
  50 *C2   PZ        0.07156    0.03235    0.01685    0.21916    0.00550
  51 *C2   S'       -0.05710   -0.00940   -0.00601    0.05004   -0.04148
  52 *C2   PX'       0.00538   -0.01317    0.00421    0.02261    0.05672
  53 *C2   PY'      -0.02086    0.00009    0.11475   -0.00021   -0.00358
  54 *C2   PZ'       0.03256    0.00076    0.00906    0.06085    0.02907
  55 *C2   DXX       0.01048   -0.00009    0.00206   -0.00042    0.00718
  56 *C2   DYY       0.00097    0.00013    0.00002   -0.00098    0.00076
  57 *C2   DZZ      -0.00870    0.00138   -0.00174    0.00696   -0.01159
  58 *C2   DXY      -0.00058    0.00002    0.00200    0.00010   -0.00002
  59 *C2   DXZ      -0.00227   -0.00213   -0.00085   -0.01936    0.00426
  60 *C2   DYZ       0.00180    0.00002   -0.00941    0.00016    0.00022
  61 *C3   S1       -0.01723   -0.00029   -0.00278   -0.00075   -0.00075
  62 *C3   S         0.03729   -0.00056    0.00537    0.00924    0.00569
  63 *C3   PX       -0.08166    0.00860   -0.01522    0.02005   -0.20143
  64 *C3   PY       -0.03300    0.00034    0.16527    0.00199    0.00217
  65 *C3   PZ       -0.08682   -0.01616   -0.02283   -0.24608    0.03500
  66 *C3   S'        0.05615   -0.00269    0.01381   -0.02055    0.00386
  67 *C3   PX'      -0.02806   -0.01573    0.00051    0.03478   -0.09553
  68 *C3   PY'      -0.02010    0.00077    0.08899    0.00085    0.00292
  69 *C3   PZ'      -0.02859    0.01698   -0.01577   -0.07850    0.02899
  70 *C3   DXX      -0.00504   -0.00121   -0.00094    0.00055    0.00945
  71 *C3   DYY      -0.00090   -0.00017   -0.00011    0.00091    0.00034
  72 *C3   DZZ       0.00016   -0.00102    0.00005   -0.00729   -0.01229
  73 *C3   DXY       0.00063    0.00001   -0.00581    0.00014    0.00047
  74 *C3   DXZ      -0.00301   -0.00155   -0.00094   -0.01989   -0.00330
  75 *C3   DYZ       0.00137    0.00001   -0.00627    0.00029   -0.00002
  76 C3    S1       -0.01723    0.00029   -0.00278    0.00075   -0.00075
  77 C3    S         0.03729    0.00056    0.00537   -0.00924    0.00569
  78 C3    PX       -0.08166   -0.00860   -0.01522   -0.02005   -0.20143
  79 C3    PY       -0.03300   -0.00034    0.16527   -0.00199    0.00217
  80 C3    PZ        0.08682   -0.01616    0.02283   -0.24608   -0.03500
  81 C3    S'        0.05615    0.00269    0.01381    0.02055    0.00386
  82 C3    PX'      -0.02806    0.01573    0.00051   -0.03478   -0.09553
  83 C3    PY'      -0.02010   -0.00077    0.08899   -0.00085    0.00292
  84 C3    PZ'       0.02859    0.01698    0.01577   -0.07850   -0.02899
  85 C3    DXX      -0.00504    0.00121   -0.00094   -0.00055    0.00945
  86 C3    DYY      -0.00090    0.00017   -0.00011   -0.00091    0.00034
  87 C3    DZZ       0.00016    0.00102    0.00005    0.00729   -0.01229
  88 C3    DXY       0.00063   -0.00001   -0.00581   -0.00014    0.00047
  89 C3    DXZ       0.00301   -0.00155    0.00094   -0.01989    0.00330
  90 C3    DYZ      -0.00137    0.00001    0.00627    0.00029    0.00002
  91 H2    S        -0.00653   -0.02118    0.00091   -0.14652   -0.07283
  92 H2    S'       -0.01131   -0.02180   -0.00049   -0.14734   -0.08543
  93 *H2   S        -0.00653    0.02118    0.00091    0.14652   -0.07283
  94 *H2   S'       -0.01131    0.02180   -0.00049    0.14734   -0.08543
  95 *H3   S        -0.05240   -0.01048   -0.01427   -0.15141   -0.05938
  96 *H3   S'       -0.04005   -0.02688   -0.00570   -0.15274   -0.07295
  97 H3    S        -0.05240    0.01048   -0.01427    0.15141   -0.05938
  98 H3    S'       -0.04005    0.02688   -0.00570    0.15274   -0.07295
  99 C7    S1        0.01362    0.00000    0.00320    0.00000   -0.03484
 100 C7    S        -0.03253    0.00000   -0.00715    0.00000    0.08884
 101 C7    PX        0.13299    0.00000    0.02786   -0.00000   -0.23107
 102 C7    PY        0.00400    0.00000    0.00439    0.00000   -0.00952
 103 C7    PZ        0.00000   -0.00395    0.00000   -0.00146    0.00000
 104 C7    S'       -0.02632    0.00000   -0.00822    0.00000    0.11498
 105 C7    PX'      -0.09075   -0.00000   -0.01441    0.00000    0.02899
 106 C7    PY'       0.00306    0.00000   -0.03745   -0.00000    0.00202
 107 C7    PZ'      -0.00000    0.01025   -0.00000    0.01474    0.00000
 108 C7    DXX      -0.02676    0.00000   -0.00522    0.00000    0.02333
 109 C7    DYY       0.01099    0.00000    0.00332    0.00000   -0.01351
 110 C7    DZZ       0.01331    0.00000    0.00201    0.00000   -0.01301
 111 C7    DXY      -0.00228    0.00000    0.00299    0.00000    0.00360
 112 C7    DXZ       0.00000   -0.00167    0.00000   -0.00940    0.00000
 113 C7    DYZ       0.00000    0.00281    0.00000    0.00342    0.00000
 114 F1    S1       -0.00375   -0.00032   -0.00039    0.00050    0.00272
 115 F1    S         0.00479    0.00051    0.00258   -0.00148   -0.00172
 116 F1    PX       -0.20933   -0.00079   -0.13278   -0.02815    0.17610
 117 F1    PY        0.02318    0.34691   -0.08439   -0.02654    0.00399
 118 F1    PZ        0.00117   -0.16435   -0.01236    0.05068   -0.03570
 119 F1    S'        0.04012    0.00492   -0.00232    0.00408   -0.03726
 120 F1    PX'      -0.14093   -0.00234   -0.08962   -0.01981    0.12138
 121 F1    PY'       0.02063    0.23673   -0.05318   -0.01686   -0.00100
 122 F1    PZ'       0.01028   -0.11101   -0.01127    0.03348   -0.03236
 123 F1    DXX      -0.00129   -0.00009    0.00264   -0.00064    0.00326
 124 F1    DYY      -0.00108    0.00698   -0.00016   -0.00086    0.00201
 125 F1    DZZ      -0.00089   -0.00677   -0.00052    0.00101   -0.00045
 126 F1    DXY      -0.00284   -0.00642   -0.00037    0.00040    0.00125
 127 F1    DXZ      -0.00417    0.00309   -0.00305   -0.00049    0.00115
 128 F1    DYZ       0.00137    0.00599   -0.00198   -0.00044   -0.00067
 129 F2    S1       -0.00304    0.00000   -0.00145    0.00000    0.00392
 130 F2    S         0.00038   -0.00000   -0.00272    0.00000   -0.00451
 131 F2    PX       -0.26127   -0.00000    0.14386    0.00000    0.22014
 132 F2    PY        0.01473    0.00000   -0.09950   -0.00000    0.01883
 133 F2    PZ       -0.00000    0.43957    0.00000   -0.04413    0.00000
 134 F2    S'        0.03954   -0.00000    0.02876    0.00000   -0.04223
 135 F2    PX'      -0.17668   -0.00000    0.09687    0.00000    0.15322
 136 F2    PY'      -0.00047    0.00000   -0.07473   -0.00000    0.02154
 137 F2    PZ'      -0.00000    0.29877    0.00000   -0.03325   -0.00000
 138 F2    DXX      -0.00195    0.00000   -0.00601    0.00000    0.00273
 139 F2    DYY      -0.00261    0.00000    0.00305    0.00000    0.00010
 140 F2    DZZ      -0.00298    0.00000   -0.00352    0.00000    0.00190
 141 F2    DXY       0.00625    0.00000   -0.00328    0.00000   -0.00326
 142 F2    DXZ       0.00000   -0.00721    0.00000    0.00054    0.00000
 143 F2    DYZ       0.00000   -0.01205   -0.00000    0.00160    0.00000
 144 F3    S1       -0.00375    0.00032   -0.00039   -0.00050    0.00272
 145 F3    S         0.00479   -0.00051    0.00258    0.00148   -0.00172
 146 F3    PX       -0.20933    0.00079   -0.13278    0.02815    0.17610
 147 F3    PY        0.02318   -0.34691   -0.08439    0.02654    0.00399
 148 F3    PZ       -0.00117   -0.16435    0.01236    0.05068    0.03570
 149 F3    S'        0.04012   -0.00492   -0.00232   -0.00408   -0.03726
 150 F3    PX'      -0.14093    0.00234   -0.08962    0.01981    0.12138
 151 F3    PY'       0.02063   -0.23673   -0.05318    0.01686   -0.00100
 152 F3    PZ'      -0.01028   -0.11101    0.01127    0.03348    0.03236
 153 F3    DXX      -0.00129    0.00009    0.00264    0.00064    0.00326
 154 F3    DYY      -0.00108   -0.00698   -0.00016    0.00086    0.00201
 155 F3    DZZ      -0.00089    0.00677   -0.00052   -0.00101   -0.00045
 156 F3    DXY      -0.00284    0.00642   -0.00037   -0.00040    0.00125
 157 F3    DXZ       0.00417    0.00309    0.00305   -0.00049   -0.00115
 158 F3    DYZ      -0.00137    0.00599    0.00198   -0.00044    0.00067
 159 Br1   S         0.00477    0.00000    0.00091    0.00000    0.00184
 160 Br1   S         0.01699    0.00000    0.00324    0.00000    0.00581
 161 Br1   PX        0.05583    0.00000    0.01114    0.00000    0.04425
 162 Br1   PY       -0.00525   -0.00000    0.02596    0.00000   -0.00140
 163 Br1   PZ        0.00000   -0.00071    0.00000   -0.01149    0.00000
 164 Br1   S        -0.05388    0.00000   -0.01020    0.00000   -0.02248
 165 Br1   PX       -0.18568    0.00000   -0.03705    0.00000   -0.14741
 166 Br1   PY        0.01744    0.00000   -0.08632    0.00000    0.00465
 167 Br1   PZ        0.00000    0.00235   -0.00000    0.03824   -0.00000
 168 Br1   S         0.11295    0.00000    0.02146    0.00000    0.04142
 169 Br1   PX        0.41077    0.00000    0.08191    0.00000    0.33164
 170 Br1   PY       -0.03777   -0.00000    0.18676    0.00000   -0.01026
 171 Br1   PZ        0.00000   -0.00487    0.00000   -0.08450    0.00000
 172 Br1   S        -0.08677    0.00000   -0.01598    0.00000   -0.06013
 173 Br1   PX        0.10521    0.00000    0.02182    0.00000    0.09223
 174 Br1   PY       -0.01341   -0.00000    0.06907    0.00000   -0.00374
 175 Br1   PZ        0.00000   -0.00130    0.00000   -0.02209    0.00000
 176 Br1   DXX      -0.01494    0.00000   -0.00301    0.00000   -0.01031
 177 Br1   DYY       0.00798    0.00000    0.00170    0.00000    0.00431
 178 Br1   DZZ       0.00844    0.00000    0.00159    0.00000    0.00623
 179 Br1   DXY       0.00205    0.00000   -0.00966    0.00000    0.00041
 180 Br1   DXZ       0.00000    0.00049    0.00000    0.00511    0.00000
 181 Br1   DYZ       0.00000   -0.00000    0.00000   -0.00004    0.00000
 182 Br1   DXX      -0.00286    0.00000   -0.00063    0.00000   -0.00072
 183 Br1   DYY       0.00219    0.00000    0.00044    0.00000    0.00232
 184 Br1   DZZ       0.00242    0.00000    0.00041    0.00000    0.00314
 185 Br1   DXY       0.00059    0.00000   -0.00290    0.00000    0.00012
 186 Br1   DXZ       0.00000    0.00012    0.00000    0.00149    0.00000
 187 Br1   DYZ       0.00000   -0.00000    0.00000   -0.00001    0.00000
 188 Br1   DXX       0.03970    0.00000    0.00780    0.00000    0.03295
 189 Br1   DYY      -0.00480    0.00000   -0.00149    0.00000    0.00192
 190 Br1   DZZ      -0.00621    0.00000   -0.00128    0.00000   -0.00324
 191 Br1   DXY      -0.00421   -0.00000    0.02030    0.00000   -0.00094
 192 Br1   DXZ       0.00000   -0.00079    0.00000   -0.01064    0.00000
 193 Br1   DYZ       0.00000    0.00001    0.00000    0.00009    0.00000
  MO:                  51         52         53         54         55    
  Eigenvalues:      -0.32880   -0.30144   -0.28158   -0.26163   -0.04133
          (ev)      -8.94714   -8.20259   -7.66217   -7.11929   -1.12466

                       A'         A"         A"         A'         A'     
   1 *C1   S1       -0.00031    0.00000    0.00000    0.00031    0.00121
   2 *C1   S         0.00059    0.00000    0.00000   -0.00045   -0.00206
   3 *C1   PX        0.00169    0.00000    0.00000   -0.00299    0.00718
   4 *C1   PY        0.17445   -0.00000    0.00000   -0.27147    0.37529
   5 *C1   PZ       -0.00000   -0.08582   -0.00004    0.00000    0.00000
   6 *C1   S'        0.00236    0.00000    0.00000   -0.00407   -0.01382
   7 *C1   PX'       0.00250    0.00000    0.00000   -0.00422    0.00429
   8 *C1   PY'       0.12041   -0.00000    0.00000   -0.17298    0.44837
   9 *C1   PZ'       0.00000    0.01666   -0.00135    0.00000    0.00000
  10 *C1   DXX      -0.00002    0.00000    0.00000   -0.00030    0.00007
  11 *C1   DYY       0.00017    0.00000    0.00000    0.00034    0.00021
  12 *C1   DZZ      -0.00010    0.00000    0.00000   -0.00003   -0.00007
  13 *C1   DXY      -0.01241    0.00000    0.00000   -0.01479   -0.00923
  14 *C1   DXZ       0.00000   -0.01696   -0.00022    0.00000    0.00000
  15 *C1   DYZ       0.00000    0.00015   -0.02042   -0.00000    0.00000
  16 *C4   S1       -0.00175    0.00000    0.00000    0.00190    0.00278
  17 *C4   S         0.00126    0.00000    0.00000   -0.00092    0.00064
  18 *C4   PX        0.00819    0.00000    0.00000   -0.00449   -0.00222
  19 *C4   PY       -0.24754    0.00000   -0.00000    0.28300    0.35430
  20 *C4   PZ        0.00000    0.00405    0.00283   -0.00000    0.00000
  21 *C4   S'        0.02230   -0.00000   -0.00000   -0.02357   -0.04186
  22 *C4   PX'       0.00605    0.00000    0.00000   -0.01223   -0.00627
  23 *C4   PY'      -0.14332    0.00000   -0.00000    0.18205    0.40432
  24 *C4   PZ'       0.00000    0.00683    0.00463    0.00000    0.00000
  25 *C4   DXX       0.00030    0.00000    0.00000   -0.00009    0.00122
  26 *C4   DYY      -0.00028    0.00000    0.00000    0.00024   -0.00021
  27 *C4   DZZ      -0.00081    0.00000    0.00000    0.00084    0.00123
  28 *C4   DXY       0.00608    0.00000    0.00000   -0.00187    0.01648
  29 *C4   DXZ       0.00000   -0.00245   -0.00047    0.00000    0.00000
  30 *C4   DYZ      -0.00000   -0.00005   -0.01964    0.00000    0.00000
  31 C2    S1       -0.00019   -0.01848   -0.00017    0.00017    0.00009
  32 C2    S         0.00084    0.03999    0.00033   -0.00081   -0.00124
  33 C2    PX        0.00284   -0.07593    0.00372   -0.00302   -0.00184
  34 C2    PY        0.00268    0.00120    0.29745   -0.17958   -0.16215
  35 C2    PZ        0.00069    0.04503   -0.00068    0.00014    0.00109
  36 C2    S'       -0.00417    0.11996    0.00142    0.00614    0.01126
  37 C2    PX'      -0.00132   -0.00940    0.00376    0.00113    0.00564
  38 C2    PY'      -0.00143    0.00019    0.20895   -0.13500   -0.21236
  39 C2    PZ'      -0.00016    0.01850   -0.00146    0.00164    0.00449
  40 C2    DXX      -0.00019   -0.00442    0.00019    0.00016   -0.00040
  41 C2    DYY       0.00026   -0.00092   -0.00022   -0.00021    0.00024
  42 C2    DZZ      -0.00010    0.00183   -0.00002    0.00006    0.00008
  43 C2    DXY      -0.01048    0.00005    0.01052    0.00780   -0.01994
  44 C2    DXZ      -0.00011   -0.00171   -0.00011    0.00002    0.00057
  45 C2    DYZ       0.00372    0.00003    0.00008   -0.00959    0.01692
  46 *C2   S1       -0.00019    0.01848    0.00017    0.00017    0.00009
  47 *C2   S         0.00084   -0.03999   -0.00033   -0.00081   -0.00124
  48 *C2   PX        0.00284    0.07593   -0.00372   -0.00302   -0.00184
  49 *C2   PY        0.00268   -0.00120   -0.29745   -0.17958   -0.16215
  50 *C2   PZ       -0.00069    0.04503   -0.00068   -0.00014   -0.00109
  51 *C2   S'       -0.00417   -0.11996   -0.00142    0.00614    0.01126
  52 *C2   PX'      -0.00132    0.00940   -0.00376    0.00113    0.00564
  53 *C2   PY'      -0.00143   -0.00019   -0.20895   -0.13500   -0.21236
  54 *C2   PZ'       0.00016    0.01850   -0.00146   -0.00164   -0.00449
  55 *C2   DXX      -0.00019    0.00442   -0.00019    0.00016   -0.00040
  56 *C2   DYY       0.00026    0.00092    0.00022   -0.00021    0.00024
  57 *C2   DZZ      -0.00010   -0.00183    0.00002    0.00006    0.00008
  58 *C2   DXY      -0.01048   -0.00005   -0.01052    0.00780   -0.01994
  59 *C2   DXZ       0.00011   -0.00171   -0.00011   -0.00002   -0.00057
  60 *C2   DYZ      -0.00372    0.00003    0.00008    0.00959   -0.01692
  61 *C3   S1        0.00028   -0.00891   -0.00037   -0.00023    0.00014
  62 *C3   S        -0.00029    0.01855    0.00111    0.00050   -0.00066
  63 *C3   PX       -0.00443   -0.04639   -0.00201    0.00228   -0.00191
  64 *C3   PY       -0.16865    0.00020   -0.29614    0.10489   -0.19860
  65 *C3   PZ        0.00315   -0.01910   -0.00259   -0.00226   -0.00361
  66 *C3   S'       -0.00138    0.05552   -0.00000   -0.00161   -0.00269
  67 *C3   PX'      -0.00802   -0.03984   -0.00434    0.00853    0.01174
  68 *C3   PY'      -0.11155   -0.00021   -0.20671    0.07877   -0.23863
  69 *C3   PZ'       0.00380   -0.00417    0.00023   -0.00055   -0.00651
  70 *C3   DXX       0.00003   -0.00015    0.00011    0.00027    0.00030
  71 *C3   DYY       0.00012   -0.00057   -0.00022   -0.00024   -0.00052
  72 *C3   DZZ      -0.00021   -0.00205    0.00007    0.00005    0.00009
  73 *C3   DXY      -0.00411   -0.00001    0.01050    0.01284    0.01864
  74 *C3   DXZ       0.00003   -0.00239   -0.00001    0.00001    0.00019
  75 *C3   DYZ       0.00843    0.00003   -0.00038   -0.00893   -0.01641
  76 C3    S1        0.00028    0.00891    0.00037   -0.00023    0.00014
  77 C3    S        -0.00029   -0.01855   -0.00111    0.00050   -0.00066
  78 C3    PX       -0.00443    0.04639    0.00201    0.00228   -0.00191
  79 C3    PY       -0.16865   -0.00020    0.29614    0.10489   -0.19860
  80 C3    PZ       -0.00315   -0.01910   -0.00259    0.00226    0.00361
  81 C3    S'       -0.00138   -0.05552    0.00000   -0.00161   -0.00269
  82 C3    PX'      -0.00802    0.03984    0.00434    0.00853    0.01174
  83 C3    PY'      -0.11155    0.00021    0.20671    0.07877   -0.23863
  84 C3    PZ'      -0.00380   -0.00417    0.00023    0.00055    0.00651
  85 C3    DXX       0.00003    0.00015   -0.00011    0.00027    0.00030
  86 C3    DYY       0.00012    0.00057    0.00022   -0.00024   -0.00052
  87 C3    DZZ      -0.00021    0.00205   -0.00007    0.00005    0.00009
  88 C3    DXY      -0.00411    0.00001   -0.01050    0.01284    0.01864
  89 C3    DXZ      -0.00003   -0.00239   -0.00001   -0.00001   -0.00019
  90 C3    DYZ      -0.00843    0.00003   -0.00038    0.00893    0.01641
  91 H2    S        -0.00140    0.00842   -0.00049    0.00076    0.00146
  92 H2    S'       -0.00205   -0.01389   -0.00069    0.00163    0.00677
  93 *H2   S        -0.00140   -0.00842    0.00049    0.00076    0.00146
  94 *H2   S'       -0.00205    0.01389    0.00069    0.00163    0.00677
  95 *H3   S         0.00052   -0.02251    0.00042   -0.00045    0.00068
  96 *H3   S'       -0.00167   -0.02785   -0.00122   -0.00015    0.00223
  97 H3    S         0.00052    0.02251   -0.00042   -0.00045    0.00068
  98 H3    S'       -0.00167    0.02785    0.00122   -0.00015    0.00223
  99 C7    S1       -0.00077    0.00000    0.00000   -0.00018   -0.00184
 100 C7    S         0.00316    0.00000    0.00000   -0.00211    0.00648
 101 C7    PX       -0.00368    0.00000   -0.00000   -0.00098   -0.01259
 102 C7    PY       -0.00634    0.00000    0.00000    0.01995    0.11871
 103 C7    PZ        0.00000   -0.00006   -0.00220    0.00000   -0.00000
 104 C7    S'       -0.00443    0.00000    0.00000    0.01577    0.01367
 105 C7    PX'       0.00303    0.00000   -0.00000   -0.00702   -0.00506
 106 C7    PY'      -0.00928    0.00000    0.00000    0.03752    0.11299
 107 C7    PZ'       0.00000    0.00062   -0.01059    0.00000   -0.00000
 108 C7    DXX       0.00003    0.00000    0.00000    0.00054    0.00225
 109 C7    DYY       0.00249    0.00000    0.00000   -0.00333   -0.00896
 110 C7    DZZ      -0.00289    0.00000    0.00000    0.00303    0.00780
 111 C7    DXY       0.00780    0.00000    0.00000   -0.01136   -0.02489
 112 C7    DXZ       0.00000    0.00012    0.00113    0.00000    0.00000
 113 C7    DYZ       0.00000   -0.00007   -0.00031    0.00000    0.00000
 114 F1    S1        0.00144    0.00043   -0.00008   -0.00247   -0.00643
 115 F1    S        -0.00490   -0.00121    0.00533    0.00635    0.01576
 116 F1    PX        0.05170    0.00891   -0.01215   -0.04087   -0.04015
 117 F1    PY        0.02998   -0.00199   -0.00853   -0.02338   -0.02567
 118 F1    PZ       -0.01277    0.00592   -0.00262    0.01958    0.04791
 119 F1    S'       -0.00537   -0.00118   -0.01081    0.01463    0.04406
 120 F1    PX'       0.03557    0.00635   -0.00629   -0.02870   -0.03272
 121 F1    PY'       0.02140   -0.00128   -0.00666   -0.01944   -0.02386
 122 F1    PZ'      -0.00988    0.00416   -0.00288    0.01824    0.04672
 123 F1    DXX      -0.00058   -0.00015    0.00199   -0.00031   -0.00100
 124 F1    DYY      -0.00001   -0.00013    0.00222   -0.00048    0.00036
 125 F1    DZZ      -0.00105    0.00017    0.00257    0.00129    0.00044
 126 F1    DXY       0.00071    0.00011   -0.00058   -0.00095   -0.00250
 127 F1    DXZ       0.00090    0.00022   -0.00025   -0.00040    0.00221
 128 F1    DYZ       0.00093    0.00003   -0.00040   -0.00083    0.00029
 129 F2    S1       -0.00251    0.00000    0.00000    0.00519    0.01485
 130 F2    S         0.00755    0.00000    0.00000   -0.00968   -0.03107
 131 F2    PX       -0.09545    0.00000    0.00000    0.08225    0.09260
 132 F2    PY        0.00272    0.00000    0.00000    0.01582    0.06070
 133 F2    PZ        0.00000    0.00256    0.01266    0.00000    0.00000
 134 F2    S'        0.01205    0.00000    0.00000   -0.03930   -0.10884
 135 F2    PX'      -0.06684    0.00000    0.00000    0.06089    0.07734
 136 F2    PY'       0.00003    0.00000    0.00000    0.01849    0.06494
 137 F2    PZ'       0.00000    0.00148    0.00907    0.00000    0.00000
 138 F2    DXX       0.00058    0.00000    0.00000    0.00223    0.00580
 139 F2    DYY       0.00008    0.00000    0.00000    0.00047    0.00089
 140 F2    DZZ       0.00099    0.00000    0.00000    0.00063    0.00062
 141 F2    DXY       0.00234    0.00000    0.00000   -0.00189    0.00077
 142 F2    DXZ       0.00000    0.00004    0.00073    0.00000    0.00000
 143 F2    DYZ       0.00000   -0.00004   -0.00074    0.00000    0.00000
 144 F3    S1        0.00144   -0.00043    0.00008   -0.00247   -0.00643
 145 F3    S        -0.00490    0.00121   -0.00533    0.00635    0.01576
 146 F3    PX        0.05170   -0.00891    0.01215   -0.04087   -0.04015
 147 F3    PY        0.02998    0.00199    0.00853   -0.02338   -0.02567
 148 F3    PZ        0.01277    0.00592   -0.00262   -0.01958   -0.04791
 149 F3    S'       -0.00537    0.00118    0.01081    0.01463    0.04406
 150 F3    PX'       0.03557   -0.00635    0.00629   -0.02870   -0.03272
 151 F3    PY'       0.02140    0.00128    0.00666   -0.01944   -0.02386
 152 F3    PZ'       0.00988    0.00416   -0.00288   -0.01824   -0.04672
 153 F3    DXX      -0.00058    0.00015   -0.00199   -0.00031   -0.00100
 154 F3    DYY      -0.00001    0.00013   -0.00222   -0.00048    0.00036
 155 F3    DZZ      -0.00105   -0.00017   -0.00257    0.00129    0.00044
 156 F3    DXY       0.00071   -0.00011    0.00058   -0.00095   -0.00250
 157 F3    DXZ      -0.00090    0.00022   -0.00025    0.00040   -0.00221
 158 F3    DYZ      -0.00093    0.00003   -0.00040    0.00083   -0.00029
 159 Br1   S        -0.00000    0.00000    0.00000    0.00000   -0.00009
 160 Br1   S        -0.00004    0.00000    0.00000    0.00002   -0.00030
 161 Br1   PX        0.00089    0.00000    0.00000    0.00064    0.00050
 162 Br1   PY        0.07610    0.00000   -0.00000    0.06689   -0.01748
 163 Br1   PZ        0.00000    0.10397   -0.00013   -0.00000    0.00000
 164 Br1   S        -0.00001    0.00000    0.00000    0.00004    0.00116
 165 Br1   PX       -0.00297    0.00000    0.00000   -0.00215   -0.00167
 166 Br1   PY       -0.25364    0.00000    0.00000   -0.22348    0.05872
 167 Br1   PZ       -0.00000   -0.34685    0.00045    0.00000    0.00000
 168 Br1   S        -0.00014    0.00000    0.00000   -0.00001   -0.00225
 169 Br1   PX        0.00674   -0.00000   -0.00000    0.00471    0.00361
 170 Br1   PY        0.56131   -0.00000   -0.00000    0.50573   -0.13808
 171 Br1   PZ        0.00000    0.77435   -0.00097   -0.00000    0.00000
 172 Br1   S        -0.00061   -0.00000    0.00000    0.00006    0.00446
 173 Br1   PX        0.00243   -0.00000    0.00000    0.00233    0.00635
 174 Br1   PY        0.24008   -0.00000   -0.00000    0.23727   -0.12295
 175 Br1   PZ        0.00000    0.34239   -0.00047   -0.00000    0.00000
 176 Br1   DXX      -0.00021    0.00000    0.00000    0.00014    0.00024
 177 Br1   DYY       0.00016    0.00000    0.00000   -0.00013    0.00006
 178 Br1   DZZ       0.00004    0.00000    0.00000   -0.00001   -0.00032
 179 Br1   DXY      -0.00962    0.00000    0.00000    0.00805   -0.02199
 180 Br1   DXZ       0.00000   -0.00234    0.00001    0.00000    0.00000
 181 Br1   DYZ       0.00000    0.00003    0.00146    0.00000    0.00000
 182 Br1   DXX      -0.00001    0.00000    0.00000   -0.00000   -0.00006
 183 Br1   DYY       0.00010    0.00000    0.00000   -0.00008   -0.00002
 184 Br1   DZZ       0.00007    0.00000    0.00000   -0.00005   -0.00014
 185 Br1   DXY      -0.00319    0.00000    0.00000    0.00215   -0.00592
 186 Br1   DXZ       0.00000   -0.00071    0.00000    0.00000    0.00000
 187 Br1   DYZ       0.00000    0.00001    0.00070    0.00000    0.00000
 188 Br1   DXX       0.00078    0.00000    0.00000   -0.00047   -0.00070
 189 Br1   DYY      -0.00020    0.00000    0.00000    0.00004   -0.00082
 190 Br1   DZZ       0.00012    0.00000    0.00000   -0.00011    0.00019
 191 Br1   DXY       0.02530    0.00000    0.00000   -0.01353    0.05196
 192 Br1   DXZ       0.00000    0.00937   -0.00001    0.00000    0.00000
 193 Br1   DYZ       0.00000   -0.00010   -0.00463    0.00000    0.00000
  MO:                  56         57         58         59         60    
  Eigenvalues:      -0.03083   -0.01484    0.10093    0.10914    0.12276
          (ev)      -0.83902   -0.40377    2.74651    2.96973    3.34055

                       A"         A'         A'         A'         A"     
   1 *C1   S1        0.00000    0.09740   -0.03762    0.00284   -0.00000
   2 *C1   S        -0.00000   -0.17599    0.05203   -0.00382    0.00000
   3 *C1   PX        0.00000    0.41977   -0.11484    0.01731   -0.00000
   4 *C1   PY       -0.00000   -0.00878    0.02350    0.30295    0.00000
   5 *C1   PZ       -0.00040    0.00000    0.00000    0.00000   -0.02426
   6 *C1   S'       -0.00000   -0.80197    0.49373   -0.02872    0.00000
   7 *C1   PX'       0.00000    0.52350   -0.20888    0.04187   -0.00000
   8 *C1   PY'      -0.00000   -0.01094    0.04126    0.52017    0.00000
   9 *C1   PZ'      -0.00357    0.00000    0.00000    0.00000   -0.06371
  10 *C1   DXX       0.00000    0.02324    0.01172   -0.00120    0.00000
  11 *C1   DYY       0.00000    0.00276   -0.00210    0.00047    0.00000
  12 *C1   DZZ       0.00000    0.00250   -0.01768    0.00169   -0.00000
  13 *C1   DXY       0.00000   -0.00009   -0.00131   -0.01733    0.00000
  14 *C1   DXZ       0.00012    0.00000    0.00000    0.00000    0.01175
  15 *C1   DYZ       0.03240    0.00000    0.00000    0.00000   -0.00064
  16 *C4   S1        0.00000    0.01196    0.00425   -0.00429    0.00000
  17 *C4   S         0.00000   -0.02394   -0.01854   -0.00235   -0.00000
  18 *C4   PX        0.00000    0.01637   -0.11608    0.00760   -0.00000
  19 *C4   PY       -0.00000   -0.00567   -0.01045   -0.18667   -0.00000
  20 *C4   PZ        0.00198    0.00000    0.00000    0.00000   -0.06184
  21 *C4   S'       -0.00000   -0.15462    0.18111    0.06904    0.00000
  22 *C4   PX'       0.00000    0.03010   -0.00886    0.00230   -0.00000
  23 *C4   PY'      -0.00000   -0.00752   -0.02244   -0.28655   -0.00000
  24 *C4   PZ'       0.02848   -0.00000   -0.00000    0.00000    0.01708
  25 *C4   DXX       0.00000    0.00237    0.03133   -0.00503    0.00000
  26 *C4   DYY       0.00000   -0.00075   -0.00457    0.00121    0.00000
  27 *C4   DZZ       0.00000   -0.00101   -0.02422   -0.00054   -0.00000
  28 *C4   DXY       0.00000   -0.00013   -0.00306   -0.02852    0.00000
  29 *C4   DXZ      -0.00135    0.00000    0.00000    0.00000   -0.03186
  30 *C4   DYZ      -0.03195    0.00000    0.00000   -0.00000   -0.00094
  31 C2    S1       -0.00050   -0.00153    0.05806   -0.00423   -0.04059
  32 C2    S         0.00139    0.01141   -0.10623    0.01019    0.06080
  33 C2    PX       -0.00133   -0.01043    0.07455   -0.01158   -0.05547
  34 C2    PY       -0.31724    0.00310   -0.02163   -0.28789    0.00350
  35 C2    PZ        0.00115    0.09444    0.06743   -0.00549   -0.20659
  36 C2    S'        0.00407   -0.07976   -0.84501    0.03445    0.75277
  37 C2    PX'      -0.00020    0.06489    0.18845   -0.04225   -0.20443
  38 C2    PY'      -0.41326    0.00277   -0.03949   -0.49917    0.00402
  39 C2    PZ'      -0.00387    0.09041    0.21455   -0.02745   -0.52110
  40 C2    DXX       0.00014   -0.01348    0.00131   -0.00041   -0.00279
  41 C2    DYY      -0.00027    0.00059   -0.00062    0.00034   -0.00124
  42 C2    DZZ      -0.00005    0.01368    0.00775   -0.00036   -0.00104
  43 C2    DXY       0.01799    0.00040    0.00043    0.00701   -0.00063
  44 C2    DXZ      -0.00022    0.01672    0.00673   -0.00063   -0.01331
  45 C2    DYZ      -0.00033   -0.00036    0.00112    0.01530    0.00011
  46 *C2   S1        0.00050   -0.00153    0.05806   -0.00423    0.04059
  47 *C2   S        -0.00139    0.01141   -0.10623    0.01019   -0.06080
  48 *C2   PX        0.00133   -0.01043    0.07455   -0.01158    0.05547
  49 *C2   PY        0.31724    0.00310   -0.02163   -0.28789   -0.00350
  50 *C2   PZ        0.00115   -0.09444   -0.06743    0.00549   -0.20659
  51 *C2   S'       -0.00407   -0.07976   -0.84501    0.03445   -0.75277
  52 *C2   PX'       0.00020    0.06489    0.18845   -0.04225    0.20443
  53 *C2   PY'       0.41326    0.00277   -0.03949   -0.49917   -0.00402
  54 *C2   PZ'      -0.00387   -0.09041   -0.21455    0.02745   -0.52110
  55 *C2   DXX      -0.00014   -0.01348    0.00131   -0.00041    0.00279
  56 *C2   DYY       0.00027    0.00059   -0.00062    0.00034    0.00124
  57 *C2   DZZ       0.00005    0.01368    0.00775   -0.00036    0.00104
  58 *C2   DXY      -0.01799    0.00040    0.00043    0.00701    0.00063
  59 *C2   DXZ      -0.00022   -0.01672   -0.00673    0.00063   -0.01331
  60 *C2   DYZ      -0.00033    0.00036   -0.00112   -0.01530    0.00011
  61 *C3   S1       -0.00119    0.02170    0.04428   -0.00326    0.00788
  62 *C3   S         0.00347   -0.05140   -0.07349    0.00712    0.01202
  63 *C3   PX       -0.00077    0.05877   -0.13181    0.01520   -0.05372
  64 *C3   PY       -0.31893    0.00094    0.01956    0.25436    0.01002
  65 *C3   PZ       -0.00351   -0.01590   -0.11242    0.01469   -0.20149
  66 *C3   S'       -0.00706   -0.16485   -0.64219    0.04971   -0.40624
  67 *C3   PX'      -0.01131    0.05555   -0.45603    0.00298   -0.29646
  68 *C3   PY'      -0.41392    0.00320    0.04088    0.41976    0.00903
  69 *C3   PZ'       0.00783   -0.09238   -0.27318    0.03665   -0.31865
  70 *C3   DXX      -0.00095    0.00173   -0.01030    0.00094   -0.00707
  71 *C3   DYY       0.00033   -0.00097   -0.00040    0.00034    0.00321
  72 *C3   DZZ       0.00026    0.00317    0.01866   -0.00091    0.00267
  73 *C3   DXY      -0.01816   -0.00028    0.00098    0.00983   -0.00028
  74 *C3   DXZ       0.00018    0.01062    0.01154   -0.00119    0.01621
  75 *C3   DYZ       0.00002    0.00013    0.00008    0.00606   -0.00021
  76 C3    S1        0.00119    0.02170    0.04428   -0.00326   -0.00788
  77 C3    S        -0.00347   -0.05140   -0.07349    0.00712   -0.01202
  78 C3    PX        0.00077    0.05877   -0.13181    0.01520    0.05372
  79 C3    PY        0.31893    0.00094    0.01956    0.25436   -0.01002
  80 C3    PZ       -0.00351    0.01590    0.11242   -0.01469   -0.20149
  81 C3    S'        0.00706   -0.16485   -0.64219    0.04971    0.40624
  82 C3    PX'       0.01131    0.05555   -0.45603    0.00298    0.29646
  83 C3    PY'       0.41392    0.00320    0.04088    0.41976   -0.00903
  84 C3    PZ'       0.00783    0.09238    0.27318   -0.03665   -0.31865
  85 C3    DXX       0.00095    0.00173   -0.01030    0.00094    0.00707
  86 C3    DYY      -0.00033   -0.00097   -0.00040    0.00034   -0.00321
  87 C3    DZZ      -0.00026    0.00317    0.01866   -0.00091   -0.00267
  88 C3    DXY       0.01816   -0.00028    0.00098    0.00983    0.00028
  89 C3    DXZ       0.00018   -0.01062   -0.01154    0.00119    0.01621
  90 C3    DYZ       0.00002   -0.00013   -0.00008   -0.00606   -0.00021
  91 H2    S        -0.00070    0.05237    0.04588   -0.00405   -0.05826
  92 H2    S'       -0.00373    0.24915    0.80627   -0.07930   -1.09922
  93 *H2   S         0.00070    0.05237    0.04588   -0.00405    0.05826
  94 *H2   S'        0.00373    0.24915    0.80627   -0.07930    1.09922
  95 *H3   S         0.00169    0.04004    0.06891   -0.00466    0.05295
  96 *H3   S'       -0.00431    0.18653    0.96366   -0.07347    0.81636
  97 H3    S        -0.00169    0.04004    0.06891   -0.00466   -0.05295
  98 H3    S'        0.00431    0.18653    0.96366   -0.07347   -0.81636
  99 C7    S1        0.00000   -0.00453   -0.04275    0.00521   -0.00000
 100 C7    S         0.00000    0.00506    0.11861   -0.02261    0.00000
 101 C7    PX        0.00000   -0.00947   -0.10330    0.03137   -0.00000
 102 C7    PY        0.00000   -0.00233   -0.05430   -0.28176   -0.00000
 103 C7    PZ       -0.01589    0.00000   -0.00000    0.00000   -0.19539
 104 C7    S'        0.00000    0.04722    0.21625   -0.02467    0.00000
 105 C7    PX'       0.00000   -0.00048    0.00412    0.00897   -0.00000
 106 C7    PY'       0.00000    0.00155   -0.03483   -0.28586   -0.00000
 107 C7    PZ'      -0.06040    0.00000    0.00000    0.00000   -0.21739
 108 C7    DXX       0.00000   -0.00007   -0.00795   -0.00300    0.00000
 109 C7    DYY       0.00000    0.00006    0.00401    0.01567    0.00000
 110 C7    DZZ       0.00000    0.00019   -0.00421   -0.01498    0.00000
 111 C7    DXY       0.00000   -0.00020    0.00165    0.02891    0.00000
 112 C7    DXZ       0.00207    0.00000    0.00000    0.00000    0.02280
 113 C7    DYZ      -0.00192    0.00000    0.00000    0.00000   -0.01248
 114 F1    S1        0.00205    0.00259    0.01183    0.01125    0.01274
 115 F1    S         0.01448   -0.00709   -0.03537   -0.02056   -0.01718
 116 F1    PX       -0.00915    0.01199    0.04236    0.03749    0.04623
 117 F1    PY       -0.01501   -0.00409   -0.01238    0.03523   -0.04666
 118 F1    PZ       -0.00484    0.00302   -0.02503   -0.08088   -0.06203
 119 F1    S'       -0.05461   -0.01526   -0.07025   -0.10061   -0.13179
 120 F1    PX'       0.00369    0.01054    0.03825    0.04009    0.04522
 121 F1    PY'      -0.01499   -0.00550   -0.01852    0.03567   -0.05575
 122 F1    PZ'      -0.00889   -0.00302   -0.04360   -0.08566   -0.05581
 123 F1    DXX       0.00695   -0.00011   -0.00300    0.00301    0.00879
 124 F1    DYY       0.00869   -0.00081   -0.00469    0.00023    0.00614
 125 F1    DZZ       0.00920   -0.00039   -0.00060    0.00614    0.00312
 126 F1    DXY      -0.00147   -0.00006   -0.00081    0.00407   -0.00398
 127 F1    DXZ      -0.00010    0.00093   -0.00162   -0.00593   -0.00482
 128 F1    DYZ      -0.00092   -0.00073   -0.00255   -0.00202    0.00272
 129 F2    S1        0.00000    0.00123    0.00442   -0.02660    0.00000
 130 F2    S         0.00000   -0.00108   -0.00775    0.05138    0.00000
 131 F2    PX        0.00000    0.00259    0.01442   -0.09794    0.00000
 132 F2    PY        0.00000    0.00349    0.01640   -0.11076    0.00000
 133 F2    PZ        0.02116    0.00000    0.00000   -0.00000    0.04832
 134 F2    S'        0.00000   -0.01407   -0.03763    0.22582   -0.00000
 135 F2    PX'       0.00000    0.00273    0.01302   -0.09614    0.00000
 136 F2    PY'       0.00000    0.00748    0.02566   -0.12928    0.00000
 137 F2    PZ'       0.01756    0.00000    0.00000   -0.00000    0.05725
 138 F2    DXX       0.00000    0.00070    0.00140   -0.00905    0.00000
 139 F2    DYY       0.00000   -0.00006   -0.00124   -0.00626    0.00000
 140 F2    DZZ       0.00000    0.00107    0.00205   -0.00309    0.00000
 141 F2    DXY       0.00000    0.00008    0.00247   -0.00584    0.00000
 142 F2    DXZ       0.00235    0.00000    0.00000    0.00000    0.00489
 143 F2    DYZ      -0.00135    0.00000    0.00000    0.00000    0.00309
 144 F3    S1       -0.00205    0.00259    0.01183    0.01125   -0.01274
 145 F3    S        -0.01448   -0.00709   -0.03537   -0.02056    0.01718
 146 F3    PX        0.00915    0.01199    0.04236    0.03749   -0.04623
 147 F3    PY        0.01501   -0.00409   -0.01238    0.03523    0.04666
 148 F3    PZ       -0.00484   -0.00302    0.02503    0.08088   -0.06203
 149 F3    S'        0.05461   -0.01526   -0.07025   -0.10061    0.13179
 150 F3    PX'      -0.00369    0.01054    0.03825    0.04009   -0.04522
 151 F3    PY'       0.01499   -0.00550   -0.01852    0.03567    0.05575
 152 F3    PZ'      -0.00889    0.00302    0.04360    0.08566   -0.05581
 153 F3    DXX      -0.00695   -0.00011   -0.00300    0.00301   -0.00879
 154 F3    DYY      -0.00869   -0.00081   -0.00469    0.00023   -0.00614
 155 F3    DZZ      -0.00920   -0.00039   -0.00060    0.00614   -0.00312
 156 F3    DXY       0.00147   -0.00006   -0.00081    0.00407    0.00398
 157 F3    DXZ      -0.00010   -0.00093    0.00162    0.00593   -0.00482
 158 F3    DYZ      -0.00092    0.00073    0.00255    0.00202    0.00272
 159 Br1   S         0.00000   -0.01003    0.00521   -0.00053    0.00000
 160 Br1   S         0.00000   -0.03769    0.02522   -0.00270    0.00000
 161 Br1   PX        0.00000    0.06164   -0.00804    0.00075    0.00000
 162 Br1   PY        0.00000   -0.00037   -0.00015   -0.00329    0.00000
 163 Br1   PZ       -0.00011    0.00000    0.00000    0.00000   -0.01419
 164 Br1   S         0.00000    0.11089   -0.04560    0.00439   -0.00000
 165 Br1   PX       -0.00000   -0.20730    0.02695   -0.00252    0.00000
 166 Br1   PY       -0.00000    0.00123    0.00049    0.01080    0.00000
 167 Br1   PZ        0.00036   -0.00000   -0.00000    0.00000    0.04846
 168 Br1   S        -0.00000   -0.24387    0.14330   -0.01473    0.00000
 169 Br1   PX        0.00000    0.48650   -0.05295    0.00564    0.00000
 170 Br1   PY        0.00000   -0.00289   -0.00018   -0.01104    0.00000
 171 Br1   PZ       -0.00088    0.00000    0.00000    0.00000   -0.14723
 172 Br1   S         0.00000    0.38867    0.02815   -0.00390    0.00000
 173 Br1   PX        0.00000    0.75650   -0.32545    0.03275   -0.00000
 174 Br1   PY        0.00000   -0.00546   -0.00883   -0.15881   -0.00000
 175 Br1   PZ        0.00004   -0.00000   -0.00000    0.00000    0.10451
 176 Br1   DXX       0.00000    0.06221   -0.02271    0.00199   -0.00000
 177 Br1   DYY       0.00000   -0.03123    0.01541   -0.00118    0.00000
 178 Br1   DZZ       0.00000   -0.03395    0.01060   -0.00117    0.00000
 179 Br1   DXY       0.00000   -0.00070   -0.00146   -0.02601    0.00000
 180 Br1   DXZ      -0.00009    0.00000    0.00000    0.00000    0.00141
 181 Br1   DYZ      -0.00426    0.00000    0.00000    0.00000    0.00009
 182 Br1   DXX       0.00000    0.01656   -0.01816    0.00206   -0.00000
 183 Br1   DYY       0.00000    0.00045   -0.01223    0.00165    0.00000
 184 Br1   DZZ       0.00000   -0.00091   -0.01449    0.00178    0.00000
 185 Br1   DXY       0.00000   -0.00009   -0.00040   -0.00672    0.00000
 186 Br1   DXZ      -0.00005    0.00000    0.00000    0.00000   -0.00021
 187 Br1   DYZ      -0.00203    0.00000    0.00000    0.00000    0.00005
 188 Br1   DXX      -0.00000   -0.10382   -0.00955    0.00323    0.00000
 189 Br1   DYY       0.00000    0.05730   -0.08040    0.00835   -0.00000
 190 Br1   DZZ       0.00000    0.06771   -0.06140    0.00758   -0.00000
 191 Br1   DXY      -0.00000    0.00098    0.00402    0.06838    0.00000
 192 Br1   DXZ       0.00041    0.00000    0.00000    0.00000   -0.00107
 193 Br1   DYZ       0.01554    0.00000    0.00000    0.00000   -0.00041
  MO:                  61         62         63         64         65    
  Eigenvalues:       0.13613    0.14724    0.18582    0.18715    0.21082
          (ev)       3.70441    4.00653    5.05651    5.09261    5.73673

                       A"         A'         A"         A'         A'     
   1 *C1   S1       -0.00000   -0.02001    0.00000    0.07203   -0.00143
   2 *C1   S         0.00000    0.09615   -0.00000   -0.14471    0.01413
   3 *C1   PX        0.00000    0.02056   -0.00000   -0.12551   -0.01660
   4 *C1   PY       -0.00000    0.00319    0.00000    0.00026    0.06912
   5 *C1   PZ       -0.03104   -0.00000    0.11155   -0.00000    0.00000
   6 *C1   S'       -0.00000   -0.84760   -0.00000   -1.33454   -0.06839
   7 *C1   PX'      -0.00000   -0.34057    0.00000    0.35623   -0.30033
   8 *C1   PY'      -0.00000    0.00717    0.00000   -0.00304    0.11825
   9 *C1   PZ'       0.05727    0.00000    0.02086    0.00000    0.00000
  10 *C1   DXX       0.00000   -0.00349   -0.00000   -0.02086    0.00636
  11 *C1   DYY       0.00000    0.01364    0.00000    0.01220   -0.00060
  12 *C1   DZZ      -0.00000   -0.01868    0.00000    0.02563   -0.00774
  13 *C1   DXY       0.00000   -0.00006    0.00000    0.00045   -0.00504
  14 *C1   DXZ       0.01580   -0.00000   -0.00963    0.00000    0.00000
  15 *C1   DYZ       0.00162    0.00000    0.00082    0.00000    0.00000
  16 *C4   S1        0.00000    0.01824    0.00000    0.04211    0.03421
  17 *C4   S        -0.00000   -0.07680   -0.00000   -0.03914   -0.04464
  18 *C4   PX        0.00000    0.09726    0.00000   -0.06392    0.02991
  19 *C4   PY        0.00000   -0.00717    0.00000    0.00282   -0.25680
  20 *C4   PZ        0.07886   -0.00000   -0.04337    0.00000   -0.00000
  21 *C4   S'        0.00000    0.56580   -0.00000   -0.94923   -0.68786
  22 *C4   PX'      -0.00000   -0.55024    0.00000    0.44233    0.05545
  23 *C4   PY'       0.00000   -0.00486    0.00000   -0.00536   -0.47652
  24 *C4   PZ'       0.27411   -0.00000    0.46431   -0.00000    0.00000
  25 *C4   DXX       0.00000   -0.00223    0.00000    0.01734   -0.00675
  26 *C4   DYY       0.00000   -0.00469    0.00000    0.00176   -0.00086
  27 *C4   DZZ       0.00000    0.02004    0.00000   -0.01396    0.01182
  28 *C4   DXY       0.00000    0.00031    0.00000   -0.00056    0.02308
  29 *C4   DXZ       0.04337   -0.00000    0.01915   -0.00000    0.00000
  30 *C4   DYZ       0.00329    0.00000    0.00201    0.00000   -0.00000
  31 C2    S1        0.02940    0.05564   -0.05035   -0.02759   -0.00442
  32 C2    S        -0.06715   -0.14044    0.09392    0.04242   -0.00717
  33 C2    PX       -0.08255    0.09347   -0.07212   -0.08294    0.04726
  34 C2    PY       -0.01118   -0.00387   -0.00412    0.00215   -0.05060
  35 C2    PZ       -0.03488    0.09815   -0.13401    0.00363    0.01215
  36 C2    S'       -0.30340   -0.21374    0.74836    0.15877    0.37341
  37 C2    PX'      -0.31199    0.33325   -0.22022   -0.84721    0.28783
  38 C2    PY'      -0.00350   -0.00469   -0.00296    0.00833   -0.15984
  39 C2    PZ'       0.09007    0.90756   -0.75614   -0.07458    0.15711
  40 C2    DXX       0.00854    0.01132   -0.01116    0.01826    0.00115
  41 C2    DYY      -0.00149   -0.00281    0.00235    0.00577   -0.00268
  42 C2    DZZ      -0.00237    0.00359    0.00209   -0.03348    0.00288
  43 C2    DXY       0.00187    0.00001    0.00111   -0.00029    0.00476
  44 C2    DXZ      -0.00149   -0.00761    0.01454    0.00439    0.00263
  45 C2    DYZ       0.00000    0.00013   -0.00008   -0.00019    0.00057
  46 *C2   S1       -0.02940    0.05564    0.05035   -0.02759   -0.00442
  47 *C2   S         0.06715   -0.14044   -0.09392    0.04242   -0.00717
  48 *C2   PX        0.08255    0.09347    0.07212   -0.08294    0.04726
  49 *C2   PY        0.01118   -0.00387    0.00412    0.00215   -0.05060
  50 *C2   PZ       -0.03488   -0.09815   -0.13401   -0.00363   -0.01215
  51 *C2   S'        0.30340   -0.21374   -0.74836    0.15877    0.37341
  52 *C2   PX'       0.31199    0.33325    0.22022   -0.84721    0.28783
  53 *C2   PY'       0.00350   -0.00469    0.00296    0.00833   -0.15984
  54 *C2   PZ'       0.09007   -0.90756   -0.75614    0.07458   -0.15711
  55 *C2   DXX      -0.00854    0.01132    0.01116    0.01826    0.00115
  56 *C2   DYY       0.00149   -0.00281   -0.00235    0.00577   -0.00268
  57 *C2   DZZ       0.00237    0.00359   -0.00209   -0.03348    0.00288
  58 *C2   DXY      -0.00187    0.00001   -0.00111   -0.00029    0.00476
  59 *C2   DXZ      -0.00149    0.00761    0.01454   -0.00439   -0.00263
  60 *C2   DYZ       0.00000   -0.00013   -0.00008    0.00019   -0.00057
  61 *C3   S1        0.07352   -0.05180   -0.03155   -0.01753   -0.00985
  62 *C3   S        -0.13312    0.13426    0.06333    0.00413    0.01125
  63 *C3   PX       -0.08620    0.04327   -0.01798   -0.08440    0.02881
  64 *C3   PY       -0.02660    0.00400   -0.01277   -0.00133    0.09325
  65 *C3   PZ       -0.03568    0.09382    0.19631   -0.04568   -0.02473
  66 *C3   S'       -1.13453    0.20316    0.30970    0.86797    0.02039
  67 *C3   PX'      -0.04698    0.38703    0.05221   -0.35272    0.44387
  68 *C3   PY'      -0.00087   -0.00282   -0.00531    0.00475    0.26390
  69 *C3   PZ'      -0.27332    0.91432    0.90907   -0.47494   -0.14358
  70 *C3   DXX       0.01791   -0.00337   -0.00440    0.00078    0.00616
  71 *C3   DYY      -0.00149    0.00544    0.00102   -0.00221   -0.00002
  72 *C3   DZZ      -0.00465   -0.01245   -0.00117    0.00388   -0.01148
  73 *C3   DXY       0.00090    0.00009    0.00062    0.00018    0.00018
  74 *C3   DXZ      -0.00439    0.00431    0.00413    0.00827    0.00158
  75 *C3   DYZ       0.00014    0.00038   -0.00004   -0.00028    0.01932
  76 C3    S1       -0.07352   -0.05180    0.03155   -0.01753   -0.00985
  77 C3    S         0.13312    0.13426   -0.06333    0.00413    0.01125
  78 C3    PX        0.08620    0.04327    0.01798   -0.08440    0.02881
  79 C3    PY        0.02660    0.00400    0.01277   -0.00133    0.09325
  80 C3    PZ       -0.03568   -0.09382    0.19631    0.04568    0.02473
  81 C3    S'        1.13453    0.20316   -0.30970    0.86797    0.02039
  82 C3    PX'       0.04698    0.38703   -0.05221   -0.35272    0.44387
  83 C3    PY'       0.00087   -0.00282    0.00531    0.00475    0.26390
  84 C3    PZ'      -0.27332   -0.91432    0.90907    0.47494    0.14358
  85 C3    DXX      -0.01791   -0.00337    0.00440    0.00078    0.00616
  86 C3    DYY       0.00149    0.00544   -0.00102   -0.00221   -0.00002
  87 C3    DZZ       0.00465   -0.01245    0.00117    0.00388   -0.01148
  88 C3    DXY      -0.00090    0.00009   -0.00062    0.00018    0.00018
  89 C3    DXZ      -0.00439   -0.00431    0.00413   -0.00827   -0.00158
  90 C3    DYZ       0.00014   -0.00038   -0.00004    0.00028   -0.01932
  91 H2    S         0.01107    0.02933   -0.00489   -0.07493    0.02267
  92 H2    S'        0.02033    1.14993   -1.14330   -0.66541    0.21631
  93 *H2   S        -0.01107    0.02933    0.00489   -0.07493    0.02267
  94 *H2   S'       -0.02033    1.14993    1.14330   -0.66541    0.21631
  95 *H3   S         0.00898   -0.05350   -0.04172    0.03593   -0.03423
  96 *H3   S'        0.77336   -1.14931   -1.11337    0.35297   -0.12280
  97 H3    S        -0.00898   -0.05350    0.04172    0.03593   -0.03423
  98 H3    S'       -0.77336   -1.14931    1.11337    0.35297   -0.12280
  99 C7    S1        0.00000    0.02283    0.00000   -0.05372   -0.09375
 100 C7    S        -0.00000   -0.04508   -0.00000    0.14203    0.19412
 101 C7    PX       -0.00000   -0.04727    0.00000   -0.01736    0.29427
 102 C7    PY        0.00000    0.02115   -0.00000   -0.02139    0.49367
 103 C7    PZ        0.50667   -0.00000    0.34616   -0.00000    0.00000
 104 C7    S'        0.00000    0.01573   -0.00000    0.26499    0.89829
 105 C7    PX'      -0.00000   -0.20703    0.00000    0.08228    0.31976
 106 C7    PY'       0.00000   -0.00554   -0.00000    0.00245    0.73360
 107 C7    PZ'       0.63389   -0.00000    0.18877   -0.00000    0.00000
 108 C7    DXX       0.00000    0.00004    0.00000   -0.00635    0.01452
 109 C7    DYY       0.00000   -0.00123    0.00000   -0.00012   -0.03018
 110 C7    DZZ       0.00000    0.00218    0.00000   -0.00276    0.01387
 111 C7    DXY       0.00000    0.00192    0.00000   -0.00003   -0.00968
 112 C7    DXZ      -0.03710    0.00000   -0.02411    0.00000    0.00000
 113 C7    DYZ       0.02398   -0.00000    0.02346   -0.00000    0.00000
 114 F1    S1       -0.04503   -0.01326   -0.01787    0.01478    0.01754
 115 F1    S         0.09041    0.04262    0.03435   -0.04404   -0.05860
 116 F1    PX       -0.15783   -0.01828   -0.05781    0.02952   -0.04050
 117 F1    PY        0.13890    0.02194    0.07381   -0.03048   -0.15140
 118 F1    PZ        0.07418    0.01518    0.09833   -0.05077   -0.02899
 119 F1    S'        0.39271    0.07614    0.14535   -0.09828   -0.09790
 120 F1    PX'      -0.16684   -0.01519   -0.06406    0.02904   -0.03795
 121 F1    PY'       0.16895    0.03300    0.07098   -0.03976   -0.18583
 122 F1    PZ'       0.12946    0.04680    0.08255   -0.07292   -0.05092
 123 F1    DXX      -0.01094    0.00599   -0.00688   -0.00396   -0.00832
 124 F1    DYY      -0.00783    0.00602   -0.00931   -0.00492   -0.00142
 125 F1    DZZ      -0.00488    0.00166   -0.00101   -0.00207   -0.01104
 126 F1    DXY       0.00866   -0.00050    0.00775   -0.00107   -0.00377
 127 F1    DXZ       0.00001   -0.00383    0.00893   -0.00075    0.01475
 128 F1    DYZ      -0.00140    0.00226   -0.00702   -0.00040    0.00754
 129 F2    S1        0.00000   -0.00865   -0.00000    0.01269    0.08053
 130 F2    S         0.00000    0.01911    0.00000   -0.02545   -0.14902
 131 F2    PX        0.00000    0.00007   -0.00000    0.01347    0.08343
 132 F2    PY       -0.00000   -0.03242   -0.00000    0.05652    0.33232
 133 F2    PZ       -0.15402    0.00000   -0.07039    0.00000   -0.00000
 134 F2    S'        0.00000    0.07371    0.00000   -0.10973   -0.78349
 135 F2    PX'       0.00000    0.00401   -0.00000    0.01868    0.12892
 136 F2    PY'      -0.00000   -0.05391   -0.00000    0.07715    0.47875
 137 F2    PZ'      -0.16235    0.00000   -0.06345    0.00000   -0.00000
 138 F2    DXX       0.00000    0.00025    0.00000    0.00080    0.01119
 139 F2    DYY       0.00000    0.00152    0.00000    0.00211    0.02229
 140 F2    DZZ       0.00000   -0.00136    0.00000    0.00226    0.01363
 141 F2    DXY       0.00000    0.00090    0.00000    0.00154    0.00147
 142 F2    DXZ      -0.01321    0.00000   -0.00814    0.00000    0.00000
 143 F2    DYZ      -0.00789    0.00000   -0.01137    0.00000    0.00000
 144 F3    S1        0.04503   -0.01326    0.01787    0.01478    0.01754
 145 F3    S        -0.09041    0.04262   -0.03435   -0.04404   -0.05860
 146 F3    PX        0.15783   -0.01828    0.05781    0.02952   -0.04050
 147 F3    PY       -0.13890    0.02194   -0.07381   -0.03048   -0.15140
 148 F3    PZ        0.07418   -0.01518    0.09833    0.05077    0.02899
 149 F3    S'       -0.39271    0.07614   -0.14535   -0.09828   -0.09790
 150 F3    PX'       0.16684   -0.01519    0.06406    0.02904   -0.03795
 151 F3    PY'      -0.16895    0.03300   -0.07098   -0.03976   -0.18583
 152 F3    PZ'       0.12946   -0.04680    0.08255    0.07292    0.05092
 153 F3    DXX       0.01094    0.00599    0.00688   -0.00396   -0.00832
 154 F3    DYY       0.00783    0.00602    0.00931   -0.00492   -0.00142
 155 F3    DZZ       0.00488    0.00166    0.00101   -0.00207   -0.01104
 156 F3    DXY      -0.00866   -0.00050   -0.00775   -0.00107   -0.00377
 157 F3    DXZ       0.00001    0.00383    0.00893    0.00075   -0.01475
 158 F3    DYZ      -0.00140   -0.00226   -0.00702    0.00040   -0.00754
 159 Br1   S         0.00000    0.00767    0.00000    0.01109   -0.00076
 160 Br1   S         0.00000    0.05354    0.00000    0.08470   -0.00705
 161 Br1   PX        0.00000   -0.00035    0.00000    0.00168    0.00158
 162 Br1   PY        0.00000    0.00005    0.00000   -0.00005    0.00213
 163 Br1   PZ        0.00535    0.00000   -0.02067    0.00000    0.00000
 164 Br1   S        -0.00000   -0.02915   -0.00000   -0.02356   -0.00185
 165 Br1   PX        0.00000    0.00127   -0.00000   -0.00583   -0.00538
 166 Br1   PY        0.00000   -0.00017    0.00000    0.00017   -0.00741
 167 Br1   PZ       -0.01806   -0.00000    0.07061   -0.00000    0.00000
 168 Br1   S         0.00000    0.29434    0.00000    0.49992   -0.05159
 169 Br1   PX       -0.00000   -0.01294    0.00000    0.01680    0.01504
 170 Br1   PY        0.00000    0.00082    0.00000   -0.00060    0.02836
 171 Br1   PZ        0.04453    0.00000   -0.21380    0.00000   -0.00000
 172 Br1   S         0.00000    0.82490    0.00000    1.83283   -0.27011
 173 Br1   PX       -0.00000    0.01449    0.00000    0.47098   -0.17198
 174 Br1   PY        0.00000   -0.00200    0.00000   -0.00380   -0.05715
 175 Br1   PZ        0.02023   -0.00000    0.12435   -0.00000    0.00000
 176 Br1   DXX       0.00000    0.01227    0.00000    0.04671   -0.01194
 177 Br1   DYY       0.00000    0.00522    0.00000   -0.00680    0.00453
 178 Br1   DZZ       0.00000   -0.00501   -0.00000   -0.01657    0.00465
 179 Br1   DXY       0.00000   -0.00033    0.00000   -0.00051   -0.00651
 180 Br1   DXZ       0.01079    0.00000   -0.01242    0.00000    0.00000
 181 Br1   DYZ      -0.00026    0.00000    0.00009    0.00000    0.00000
 182 Br1   DXX      -0.00000   -0.04971   -0.00000   -0.07822    0.00528
 183 Br1   DYY      -0.00000   -0.04972   -0.00000   -0.08245    0.00690
 184 Br1   DZZ      -0.00000   -0.05391   -0.00000   -0.08502    0.00661
 185 Br1   DXY       0.00000   -0.00008    0.00000   -0.00002   -0.00178
 186 Br1   DXZ       0.00379    0.00000   -0.00495    0.00000    0.00000
 187 Br1   DYZ      -0.00011    0.00000    0.00003    0.00000    0.00000
 188 Br1   DXX      -0.00000   -0.21411   -0.00000   -0.37292    0.04126
 189 Br1   DYY      -0.00000   -0.19984   -0.00000   -0.29112    0.01459
 190 Br1   DZZ      -0.00000   -0.16212   -0.00000   -0.26295    0.01624
 191 Br1   DXY       0.00000    0.00091    0.00000    0.00063    0.01946
 192 Br1   DXZ      -0.03623    0.00000    0.04566   -0.00000    0.00000
 193 Br1   DYZ       0.00099   -0.00000   -0.00030   -0.00000    0.00000
  MO:                  66         67         68         69         70    
  Eigenvalues:       0.21357    0.24266    0.25096    0.26708    0.30527
          (ev)       5.81160    6.60303    6.82897    7.26774    8.30674

                       A'         A'         A"         A'         A'     
   1 *C1   S1        0.01058   -0.04607    0.00000   -0.04896    0.00128
   2 *C1   S        -0.03193    0.00069   -0.00000    0.07950    0.05809
   3 *C1   PX       -0.02174    0.13406   -0.00000    0.06603   -0.27947
   4 *C1   PY        0.06006    0.00050    0.00000    0.01132    0.00044
   5 *C1   PZ        0.00000    0.00000    0.22391    0.00000    0.00000
   6 *C1   S'       -0.08374    1.55541   -0.00000    0.85198   -0.58076
   7 *C1   PX'       0.09760    0.78599   -0.00000    1.15611    0.38783
   8 *C1   PY'       0.10109   -0.00610   -0.00000    0.00341   -0.00584
   9 *C1   PZ'      -0.00000    0.00000    2.25635    0.00000    0.00000
  10 *C1   DXX      -0.00259   -0.00107    0.00000   -0.03728   -0.03954
  11 *C1   DYY       0.00023    0.00802    0.00000    0.01303    0.02360
  12 *C1   DZZ       0.00499   -0.01589    0.00000    0.01636    0.01958
  13 *C1   DXY      -0.00429   -0.00015    0.00000   -0.00044    0.00083
  14 *C1   DXZ       0.00000   -0.00000   -0.03636   -0.00000    0.00000
  15 *C1   DYZ       0.00000    0.00000    0.00025    0.00000    0.00000
  16 *C4   S1       -0.00451   -0.12421    0.00000   -0.06332   -0.01714
  17 *C4   S         0.05128    0.18225   -0.00000    0.08728    0.00960
  18 *C4   PX       -0.00931    0.16755    0.00000   -0.23457    0.23133
  19 *C4   PY       -0.22219   -0.00717    0.00000   -0.04579    0.00439
  20 *C4   PZ        0.00000    0.00000    0.14590    0.00000    0.00000
  21 *C4   S'       -0.21587    1.62527   -0.00000    1.99422   -0.24168
  22 *C4   PX'      -0.17219    0.91282   -0.00000   -1.08264    1.72550
  23 *C4   PY'      -0.42676    0.01864    0.00000   -0.08494    0.02848
  24 *C4   PZ'      -0.00000    0.00000    0.94644    0.00000    0.00000
  25 *C4   DXX       0.01028   -0.04523    0.00000    0.02213   -0.01889
  26 *C4   DYY      -0.00050    0.01553    0.00000   -0.00006    0.01076
  27 *C4   DZZ      -0.00005   -0.00170    0.00000   -0.02159   -0.00563
  28 *C4   DXY       0.02058    0.00128    0.00000    0.00785   -0.00175
  29 *C4   DXZ       0.00000    0.00000   -0.00989    0.00000    0.00000
  30 *C4   DYZ      -0.00000    0.00000    0.00045    0.00000    0.00000
  31 C2    S1       -0.00628   -0.00381   -0.07661    0.05196    0.00724
  32 C2    S         0.01361    0.02741    0.06627   -0.07948   -0.00425
  33 C2    PX       -0.02206    0.14427   -0.02466   -0.12499    0.11229
  34 C2    PY       -0.04289   -0.00614    0.00076   -0.00478   -0.00303
  35 C2    PZ       -0.00729   -0.07972    0.11876   -0.05872    0.07359
  36 C2    S'        0.01675   -0.36724    2.53168   -1.33847   -0.47337
  37 C2    PX'      -0.14329    0.40657   -0.20119   -0.47655   -0.37086
  38 C2    PY'      -0.13886   -0.00716    0.00485   -0.02113    0.00980
  39 C2    PZ'      -0.09444   -0.80665    0.92244   -0.55153   -0.01068
  40 C2    DXX       0.00114   -0.01953   -0.00832    0.00222    0.02029
  41 C2    DYY       0.00111    0.00806   -0.00016    0.00353    0.00854
  42 C2    DZZ      -0.00462    0.00711    0.00373   -0.00436   -0.03692
  43 C2    DXY       0.00418    0.00095    0.00003    0.00108    0.00012
  44 C2    DXZ       0.00227   -0.01914    0.01242   -0.01931   -0.00739
  45 C2    DYZ       0.00042    0.00054   -0.00013    0.00002    0.00030
  46 *C2   S1       -0.00628   -0.00381    0.07661    0.05196    0.00724
  47 *C2   S         0.01361    0.02741   -0.06627   -0.07948   -0.00425
  48 *C2   PX       -0.02206    0.14427    0.02466   -0.12499    0.11229
  49 *C2   PY       -0.04289   -0.00614   -0.00076   -0.00478   -0.00303
  50 *C2   PZ        0.00729    0.07972    0.11876    0.05872   -0.07359
  51 *C2   S'        0.01675   -0.36724   -2.53168   -1.33847   -0.47337
  52 *C2   PX'      -0.14329    0.40657    0.20119   -0.47655   -0.37086
  53 *C2   PY'      -0.13886   -0.00716   -0.00485   -0.02113    0.00980
  54 *C2   PZ'       0.09444    0.80665    0.92244    0.55153    0.01068
  55 *C2   DXX       0.00114   -0.01953    0.00832    0.00222    0.02029
  56 *C2   DYY       0.00111    0.00806    0.00016    0.00353    0.00854
  57 *C2   DZZ      -0.00462    0.00711   -0.00373   -0.00436   -0.03692
  58 *C2   DXY       0.00418    0.00095   -0.00003    0.00108    0.00012
  59 *C2   DXZ      -0.00227    0.01914    0.01242    0.01931    0.00739
  60 *C2   DYZ      -0.00042   -0.00054   -0.00013   -0.00002   -0.00030
  61 *C3   S1        0.01193    0.05910   -0.00732    0.00663   -0.01063
  62 *C3   S        -0.02557   -0.12613    0.03020    0.00700   -0.01594
  63 *C3   PX       -0.03355    0.00688   -0.11851   -0.08508   -0.11180
  64 *C3   PY        0.08043    0.00777    0.00300    0.01849    0.00328
  65 *C3   PZ       -0.02779    0.04330   -0.04866    0.13249   -0.04876
  66 *C3   S'       -0.07985   -0.73066   -0.33473   -0.10690    0.85742
  67 *C3   PX'      -0.12244   -0.11001   -1.04687   -0.84569   -0.25019
  68 *C3   PY'       0.24357   -0.00314    0.01374    0.05495   -0.01266
  69 *C3   PZ'      -0.06849   -0.19418   -0.05218    0.97093   -0.76128
  70 *C3   DXX      -0.00037    0.01287   -0.00826   -0.03176    0.01670
  71 *C3   DYY      -0.00163   -0.00101    0.00037    0.00254    0.00164
  72 *C3   DZZ       0.00371   -0.00523    0.00614    0.03380   -0.01836
  73 *C3   DXY      -0.00043   -0.00111    0.00002    0.00031   -0.00102
  74 *C3   DXZ       0.00140   -0.03123   -0.01928   -0.00977   -0.00535
  75 *C3   DYZ       0.01701    0.00053    0.00021    0.00459   -0.00105
  76 C3    S1        0.01193    0.05910    0.00732    0.00663   -0.01063
  77 C3    S        -0.02557   -0.12613   -0.03020    0.00700   -0.01594
  78 C3    PX       -0.03355    0.00688    0.11851   -0.08508   -0.11180
  79 C3    PY        0.08043    0.00777   -0.00300    0.01849    0.00328
  80 C3    PZ        0.02779   -0.04330   -0.04866   -0.13249    0.04876
  81 C3    S'       -0.07985   -0.73066    0.33473   -0.10690    0.85742
  82 C3    PX'      -0.12244   -0.11001    1.04687   -0.84569   -0.25019
  83 C3    PY'       0.24357   -0.00314   -0.01374    0.05495   -0.01266
  84 C3    PZ'       0.06849    0.19418   -0.05218   -0.97093    0.76128
  85 C3    DXX      -0.00037    0.01287    0.00826   -0.03176    0.01670
  86 C3    DYY      -0.00163   -0.00101   -0.00037    0.00254    0.00164
  87 C3    DZZ       0.00371   -0.00523   -0.00614    0.03380   -0.01836
  88 C3    DXY      -0.00043   -0.00111   -0.00002    0.00031   -0.00102
  89 C3    DXZ      -0.00140    0.03123   -0.01928    0.00977    0.00535
  90 C3    DYZ      -0.01701   -0.00053    0.00021   -0.00459    0.00105
  91 H2    S        -0.01475   -0.05958    0.04388   -0.05171   -0.04996
  92 H2    S'       -0.19125   -0.34113   -0.03289   -0.35264    0.14218
  93 *H2   S        -0.01475   -0.05958   -0.04388   -0.05171   -0.04996
  94 *H2   S'       -0.19125   -0.34113    0.03289   -0.35264    0.14218
  95 *H3   S         0.02538   -0.05783   -0.05175    0.02009   -0.04334
  96 *H3   S'        0.23118    0.42220    0.50943   -0.37412    0.48994
  97 H3    S         0.02538   -0.05783    0.05175    0.02009   -0.04334
  98 H3    S'        0.23118    0.42220   -0.50943   -0.37412    0.48994
  99 C7    S1        0.10301    0.08884    0.00000   -0.06375    0.07370
 100 C7    S        -0.27721   -0.22701   -0.00000    0.28087   -0.22125
 101 C7    PX       -0.41811    0.36965   -0.00000    0.00246    0.14382
 102 C7    PY        0.41439    0.05528   -0.00000    0.13176   -0.00597
 103 C7    PZ        0.00000   -0.00000    0.06533    0.00000   -0.00000
 104 C7    S'       -0.64224   -1.27223    0.00000    0.49588   -1.30119
 105 C7    PX'      -0.62107    0.89171   -0.00000   -0.24461    0.89142
 106 C7    PY'       0.62744    0.05996   -0.00000    0.11828    0.03330
 107 C7    PZ'       0.00000   -0.00000   -0.19035    0.00000   -0.00000
 108 C7    DXX      -0.01836    0.02792    0.00000    0.00163    0.01037
 109 C7    DYY      -0.00463   -0.00631    0.00000   -0.00936    0.00112
 110 C7    DZZ       0.02951   -0.00392    0.00000   -0.00938    0.00217
 111 C7    DXY      -0.00998   -0.00176    0.00000   -0.00141   -0.00046
 112 C7    DXZ       0.00000    0.00000   -0.00150    0.00000    0.00000
 113 C7    DYZ       0.00000    0.00000    0.00454    0.00000    0.00000
 114 F1    S1       -0.06239   -0.00425    0.00143    0.00034   -0.00327
 115 F1    S         0.13228    0.00274    0.00586    0.02409   -0.01364
 116 F1    PX       -0.03140   -0.08354    0.00418   -0.02745   -0.04031
 117 F1    PY        0.05096    0.00348    0.00626   -0.03756    0.01687
 118 F1    PZ        0.29646    0.02847    0.01929   -0.07281    0.04935
 119 F1    S'        0.55209    0.04685   -0.05899   -0.02660    0.05344
 120 F1    PX'      -0.05550   -0.11439   -0.00223   -0.00047   -0.08569
 121 F1    PY'       0.08483   -0.00470   -0.01260   -0.02750    0.00369
 122 F1    PZ'       0.39098    0.01727    0.00283   -0.01537    0.01537
 123 F1    DXX      -0.00281   -0.00344    0.00563    0.00292   -0.00310
 124 F1    DYY       0.00007   -0.00310   -0.00003    0.01593   -0.01218
 125 F1    DZZ      -0.01834   -0.00269    0.00158    0.01803   -0.01487
 126 F1    DXY      -0.00916    0.00628    0.00139   -0.00165    0.00392
 127 F1    DXZ       0.00106    0.01190    0.00343   -0.00983    0.01001
 128 F1    DYZ      -0.00442    0.00177   -0.00334    0.01166   -0.00522
 129 F2    S1       -0.00474   -0.00065    0.00000    0.01932   -0.00520
 130 F2    S         0.05383   -0.01667    0.00000   -0.04941    0.00503
 131 F2    PX        0.09923   -0.06210    0.00000    0.04356   -0.05112
 132 F2    PY       -0.07696   -0.00482   -0.00000    0.12000   -0.04685
 133 F2    PZ       -0.00000    0.00000    0.00346    0.00000    0.00000
 134 F2    S'       -0.07772    0.03271    0.00000   -0.12733    0.03811
 135 F2    PX'       0.12451   -0.10342    0.00000    0.06528   -0.09263
 136 F2    PY'      -0.07657    0.00646   -0.00000    0.10356   -0.02225
 137 F2    PZ'      -0.00000    0.00000    0.01927    0.00000    0.00000
 138 F2    DXX       0.01824   -0.00495    0.00000   -0.00241    0.00137
 139 F2    DYY       0.00901   -0.00770    0.00000    0.01495   -0.01329
 140 F2    DZZ       0.02199   -0.01066    0.00000   -0.00759   -0.00251
 141 F2    DXY       0.01432   -0.01069    0.00000    0.00659   -0.00751
 142 F2    DXZ       0.00000    0.00000   -0.00018    0.00000    0.00000
 143 F2    DYZ       0.00000    0.00000   -0.00545    0.00000    0.00000
 144 F3    S1       -0.06239   -0.00425   -0.00143    0.00034   -0.00327
 145 F3    S         0.13228    0.00274   -0.00586    0.02409   -0.01364
 146 F3    PX       -0.03140   -0.08354   -0.00418   -0.02745   -0.04031
 147 F3    PY        0.05096    0.00348   -0.00626   -0.03756    0.01687
 148 F3    PZ       -0.29646   -0.02847    0.01929    0.07281   -0.04935
 149 F3    S'        0.55209    0.04685    0.05899   -0.02660    0.05344
 150 F3    PX'      -0.05550   -0.11439    0.00223   -0.00047   -0.08569
 151 F3    PY'       0.08483   -0.00470    0.01260   -0.02750    0.00369
 152 F3    PZ'      -0.39098   -0.01727    0.00283    0.01537   -0.01537
 153 F3    DXX      -0.00281   -0.00344   -0.00563    0.00292   -0.00310
 154 F3    DYY       0.00007   -0.00310    0.00003    0.01593   -0.01218
 155 F3    DZZ      -0.01834   -0.00269   -0.00158    0.01803   -0.01487
 156 F3    DXY      -0.00916    0.00628   -0.00139   -0.00165    0.00392
 157 F3    DXZ      -0.00106   -0.01190    0.00343    0.00983   -0.01001
 158 F3    DYZ       0.00442   -0.00177   -0.00334   -0.01166    0.00522
 159 Br1   S         0.00125    0.00611    0.00000   -0.00126   -0.00148
 160 Br1   S         0.00975    0.05240   -0.00000   -0.00370   -0.01295
 161 Br1   PX        0.00057    0.01809    0.00000   -0.03756   -0.08001
 162 Br1   PY        0.00199   -0.00006    0.00000    0.00126    0.00044
 163 Br1   PZ        0.00000    0.00000    0.02654    0.00000    0.00000
 164 Br1   S        -0.00207   -0.00182    0.00000    0.02015    0.00509
 165 Br1   PX       -0.00198   -0.06184    0.00000    0.12894    0.27502
 166 Br1   PY       -0.00692    0.00021    0.00000   -0.00433   -0.00150
 167 Br1   PZ        0.00000   -0.00000   -0.09186   -0.00000   -0.00000
 168 Br1   S         0.05920    0.27025   -0.00000    0.03829    0.02387
 169 Br1   PX        0.00738    0.18559   -0.00000   -0.41974   -0.90296
 170 Br1   PY        0.02621   -0.00030   -0.00000    0.01502    0.00474
 171 Br1   PZ       -0.00000    0.00000    0.33994    0.00000    0.00000
 172 Br1   S         0.23112    1.23997   -0.00000    0.45356   -0.01704
 173 Br1   PX        0.06460    0.13743   -0.00000    0.93965    1.19640
 174 Br1   PY       -0.05340   -0.00370    0.00000   -0.02410   -0.00678
 175 Br1   PZ        0.00000   -0.00000   -0.79006   -0.00000   -0.00000
 176 Br1   DXX       0.00594    0.02818   -0.00000    0.03274    0.00344
 177 Br1   DYY      -0.00152   -0.01995    0.00000   -0.01793    0.00687
 178 Br1   DZZ      -0.00160    0.00529    0.00000   -0.01102   -0.00854
 179 Br1   DXY      -0.00595   -0.00078    0.00000   -0.00170    0.00021
 180 Br1   DXZ       0.00000   -0.00000   -0.08251   -0.00000    0.00000
 181 Br1   DYZ       0.00000    0.00000    0.00075    0.00000    0.00000
 182 Br1   DXX      -0.00895   -0.05599    0.00000    0.00907    0.02164
 183 Br1   DYY      -0.00967   -0.06736    0.00000    0.00633    0.03418
 184 Br1   DZZ      -0.00951   -0.05812    0.00000    0.00945    0.02883
 185 Br1   DXY      -0.00158   -0.00021    0.00000   -0.00037    0.00018
 186 Br1   DXZ       0.00000    0.00000   -0.01651    0.00000    0.00000
 187 Br1   DYZ       0.00000    0.00000    0.00015    0.00000    0.00000
 188 Br1   DXX      -0.04308   -0.28917    0.00000   -0.01315    0.14973
 189 Br1   DYY      -0.03106   -0.15473    0.00000    0.06172    0.05353
 190 Br1   DZZ      -0.03195   -0.24634    0.00000    0.03249    0.11024
 191 Br1   DXY       0.01746    0.00238    0.00000    0.00462   -0.00161
 192 Br1   DXZ       0.00000    0.00000    0.20785    0.00000   -0.00000
 193 Br1   DYZ       0.00000   -0.00000   -0.00186    0.00000    0.00000
  MO:                  71         72         73         74         75    
  Eigenvalues:       0.31687    0.32036    0.34311    0.35024    0.42380
          (ev)       8.62238    8.71743    9.33649    9.53053   11.53208

                       A"         A'         A'         A"         A"     
   1 *C1   S1        0.00000   -0.00132   -0.08729   -0.00000   -0.00000
   2 *C1   S         0.00000   -0.00004   -0.00239   -0.00000    0.00000
   3 *C1   PX       -0.00000    0.00013   -0.05257   -0.00000    0.00000
   4 *C1   PY       -0.00000   -0.01797   -0.00337   -0.00000    0.00000
   5 *C1   PZ       -0.14574    0.00000   -0.00000    0.19646   -0.03926
   6 *C1   S'       -0.00000    0.03968    2.59862    0.00000    0.00000
   7 *C1   PX'       0.00000    0.02048    1.38708    0.00000    0.00000
   8 *C1   PY'      -0.00000   -0.19262   -0.01422   -0.00000   -0.00000
   9 *C1   PZ'      -0.85525    0.00000    0.00000   -0.67792   -1.42233
  10 *C1   DXX      -0.00000   -0.00024   -0.02036   -0.00000    0.00000
  11 *C1   DYY       0.00000    0.00029    0.03062    0.00000    0.00000
  12 *C1   DZZ       0.00000   -0.00051   -0.04436   -0.00000    0.00000
  13 *C1   DXY       0.00000    0.00225    0.00115    0.00000    0.00000
  14 *C1   DXZ      -0.05261    0.00000    0.00000   -0.01001    0.03860
  15 *C1   DYZ       0.00126    0.00000    0.00000   -0.00077   -0.00096
  16 *C4   S1       -0.00000    0.00135    0.10562    0.00000    0.00000
  17 *C4   S         0.00000    0.00028   -0.08451   -0.00000    0.00000
  18 *C4   PX        0.00000   -0.00433   -0.18212   -0.00000    0.00000
  19 *C4   PY       -0.00000   -0.03592    0.01241    0.00000    0.00000
  20 *C4   PZ       -0.19892    0.00000   -0.00000    0.35478   -0.02636
  21 *C4   S'        0.00000   -0.03860   -2.81939   -0.00000   -0.00000
  22 *C4   PX'       0.00000   -0.03140   -0.48731   -0.00000   -0.00000
  23 *C4   PY'       0.00000   -0.01036   -0.02101   -0.00000   -0.00000
  24 *C4   PZ'      -0.94965    0.00000   -0.00000    2.76172    1.63844
  25 *C4   DXX       0.00000    0.00027    0.01499    0.00000    0.00000
  26 *C4   DYY       0.00000   -0.00018   -0.01535    0.00000    0.00000
  27 *C4   DZZ       0.00000    0.00041    0.02547    0.00000    0.00000
  28 *C4   DXY       0.00000   -0.00159   -0.00335    0.00000    0.00000
  29 *C4   DXZ      -0.01225    0.00000    0.00000   -0.00797   -0.05167
  30 *C4   DYZ       0.00242    0.00000    0.00000   -0.00133    0.00180
  31 C2    S1       -0.03546    0.00052    0.01610    0.00137   -0.00761
  32 C2    S         0.09291   -0.00154   -0.09533    0.02994    0.00143
  33 C2    PX        0.06961   -0.00015    0.17607    0.04008    0.33545
  34 C2    PY       -0.00399   -0.14346    0.00567    0.00419   -0.00237
  35 C2    PZ        0.14497   -0.00259   -0.21245    0.05469   -0.12555
  36 C2    S'        0.36951   -0.00465   -0.02167    0.02395    0.20957
  37 C2    PX'       1.72279    0.01143    0.90501    0.31279    1.00190
  38 C2    PY'      -0.01677    0.10945   -0.01408   -0.00455   -0.01222
  39 C2    PZ'       0.00380   -0.02087   -1.39549   -0.25302   -0.55024
  40 C2    DXX      -0.02909   -0.00037   -0.02348    0.00153    0.00174
  41 C2    DYY       0.00553    0.00014    0.00568    0.00183    0.00149
  42 C2    DZZ       0.02076    0.00017    0.00597   -0.00402   -0.01409
  43 C2    DXY       0.00146   -0.00657   -0.00086   -0.00134   -0.00123
  44 C2    DXZ      -0.01258    0.00004    0.00334    0.03755   -0.01786
  45 C2    DYZ       0.00018   -0.00178   -0.00039   -0.00037    0.00006
  46 *C2   S1        0.03546    0.00052    0.01610   -0.00137    0.00761
  47 *C2   S        -0.09291   -0.00154   -0.09533   -0.02994   -0.00143
  48 *C2   PX       -0.06961   -0.00015    0.17607   -0.04008   -0.33545
  49 *C2   PY        0.00399   -0.14346    0.00567   -0.00419    0.00237
  50 *C2   PZ        0.14497    0.00259    0.21245    0.05469   -0.12555
  51 *C2   S'       -0.36951   -0.00465   -0.02167   -0.02395   -0.20957
  52 *C2   PX'      -1.72279    0.01143    0.90501   -0.31279   -1.00190
  53 *C2   PY'       0.01677    0.10945   -0.01408    0.00455    0.01222
  54 *C2   PZ'       0.00380    0.02087    1.39549   -0.25302   -0.55024
  55 *C2   DXX       0.02909   -0.00037   -0.02348   -0.00153   -0.00174
  56 *C2   DYY      -0.00553    0.00014    0.00568   -0.00183   -0.00149
  57 *C2   DZZ      -0.02076    0.00017    0.00597    0.00402    0.01409
  58 *C2   DXY      -0.00146   -0.00657   -0.00086    0.00134    0.00123
  59 *C2   DXZ      -0.01258   -0.00004   -0.00334    0.03755   -0.01786
  60 *C2   DYZ       0.00018    0.00178    0.00039   -0.00037    0.00006
  61 *C3   S1       -0.06508    0.00017    0.00261    0.04512   -0.03215
  62 *C3   S         0.05748   -0.00014    0.02065    0.00538    0.11928
  63 *C3   PX       -0.20081    0.00153    0.18102    0.00335    0.05072
  64 *C3   PY       -0.01141    0.03084   -0.02023    0.01800    0.01371
  65 *C3   PZ       -0.08429   -0.00130   -0.12688    0.02368   -0.11341
  66 *C3   S'        2.14195   -0.00811   -0.26558   -1.89351   -0.15386
  67 *C3   PX'      -0.74275    0.01374    1.08342   -1.37137   -1.54749
  68 *C3   PY'       0.01512   -0.00508    0.00066    0.00665    0.00790
  69 *C3   PZ'      -0.63779    0.00050   -0.70889    1.14509    0.71567
  70 *C3   DXX      -0.00702    0.00019    0.01449   -0.00872   -0.05173
  71 *C3   DYY       0.00205   -0.00022   -0.00136    0.00186    0.01581
  72 *C3   DZZ      -0.00193    0.00011   -0.00293    0.00847    0.02393
  73 *C3   DXY       0.00126    0.00899    0.00116   -0.00135   -0.00070
  74 *C3   DXZ       0.00787    0.00009    0.00531   -0.02898    0.02540
  75 *C3   DYZ      -0.00012    0.00369   -0.00082    0.00023   -0.00075
  76 C3    S1        0.06508    0.00017    0.00261   -0.04512    0.03215
  77 C3    S        -0.05748   -0.00014    0.02065   -0.00538   -0.11928
  78 C3    PX        0.20081    0.00153    0.18102   -0.00335   -0.05072
  79 C3    PY        0.01141    0.03084   -0.02023   -0.01800   -0.01371
  80 C3    PZ       -0.08429    0.00130    0.12688    0.02368   -0.11341
  81 C3    S'       -2.14195   -0.00811   -0.26558    1.89351    0.15386
  82 C3    PX'       0.74275    0.01374    1.08342    1.37137    1.54749
  83 C3    PY'      -0.01512   -0.00508    0.00066   -0.00665   -0.00790
  84 C3    PZ'      -0.63779   -0.00050    0.70889    1.14509    0.71567
  85 C3    DXX       0.00702    0.00019    0.01449    0.00872    0.05173
  86 C3    DYY      -0.00205   -0.00022   -0.00136   -0.00186   -0.01581
  87 C3    DZZ       0.00193    0.00011   -0.00293   -0.00847   -0.02393
  88 C3    DXY      -0.00126    0.00899    0.00116    0.00135    0.00070
  89 C3    DXZ       0.00787   -0.00009   -0.00531   -0.02898    0.02540
  90 C3    DYZ      -0.00012   -0.00369    0.00082    0.00023   -0.00075
  91 H2    S         0.00187    0.00058    0.04259    0.12544   -0.08526
  92 H2    S'        0.67805   -0.00919   -0.59167    0.18432    0.05753
  93 *H2   S        -0.00187    0.00058    0.04259   -0.12544    0.08526
  94 *H2   S'       -0.67805   -0.00919   -0.59167   -0.18432   -0.05753
  95 *H3   S         0.02309   -0.00047   -0.02831   -0.04287    0.07436
  96 *H3   S'        0.37081   -0.00412   -0.00629    0.23711    0.11359
  97 H3    S        -0.02309   -0.00047   -0.02831    0.04287   -0.07436
  98 H3    S'       -0.37081   -0.00412   -0.00629   -0.23711   -0.11359
  99 C7    S1        0.00000   -0.00158   -0.05098   -0.00000    0.00000
 100 C7    S        -0.00000    0.00076    0.03277    0.00000   -0.00000
 101 C7    PX        0.00000   -0.00381   -0.22193   -0.00000   -0.00000
 102 C7    PY        0.00000    0.02140   -0.09399   -0.00000    0.00000
 103 C7    PZ        0.24233   -0.00000    0.00000   -0.03636    0.55267
 104 C7    S'       -0.00000    0.04046    1.17353    0.00000    0.00000
 105 C7    PX'       0.00000   -0.02651   -0.75051   -0.00000   -0.00000
 106 C7    PY'       0.00000    0.02174   -0.02780   -0.00000   -0.00000
 107 C7    PZ'       0.60307   -0.00000    0.00000   -0.93968   -0.93439
 108 C7    DXX       0.00000   -0.00067   -0.03067   -0.00000    0.00000
 109 C7    DYY       0.00000   -0.00078    0.01114    0.00000    0.00000
 110 C7    DZZ       0.00000    0.00110    0.01527    0.00000    0.00000
 111 C7    DXY       0.00000    0.00172    0.00106    0.00000    0.00000
 112 C7    DXZ       0.01214    0.00000    0.00000   -0.01486   -0.00808
 113 C7    DYZ       0.00670    0.00000    0.00000    0.00666    0.04930
 114 F1    S1       -0.01949   -0.00061    0.00785    0.01918    0.00512
 115 F1    S         0.01559    0.00203   -0.04062   -0.00067    0.03283
 116 F1    PX       -0.01516    0.00028    0.09147    0.01084   -0.00181
 117 F1    PY        0.05646   -0.00259   -0.00414   -0.03234    0.05566
 118 F1    PZ        0.02992    0.00458    0.01276    0.02183    0.13782
 119 F1    S'        0.28120    0.00428   -0.03381   -0.36920   -0.31571
 120 F1    PX'      -0.04958    0.00077    0.10645    0.04005    0.02223
 121 F1    PY'       0.09985   -0.00156   -0.00803   -0.11080   -0.06038
 122 F1    PZ'       0.08123    0.00530   -0.01988   -0.06203    0.00523
 123 F1    DXX      -0.00613    0.00034   -0.00575    0.01493    0.02155
 124 F1    DYY      -0.01228    0.00085   -0.01104    0.01106   -0.00444
 125 F1    DZZ      -0.01023   -0.00044   -0.01203    0.01149    0.00122
 126 F1    DXY       0.00258   -0.00034   -0.00611    0.00232    0.01796
 127 F1    DXZ       0.00101    0.00030   -0.00260    0.00760    0.02902
 128 F1    DYZ      -0.00109    0.00036   -0.00901   -0.00815   -0.03409
 129 F2    S1        0.00000    0.00182   -0.00093    0.00000    0.00000
 130 F2    S         0.00000   -0.00156    0.02289    0.00000    0.00000
 131 F2    PX       -0.00000    0.00287    0.03859    0.00000    0.00000
 132 F2    PY       -0.00000    0.00633   -0.03021    0.00000    0.00000
 133 F2    PZ       -0.06268    0.00000   -0.00000    0.06375    0.02175
 134 F2    S'        0.00000   -0.02021   -0.05181   -0.00000    0.00000
 135 F2    PX'      -0.00000    0.00805    0.07169    0.00000    0.00000
 136 F2    PY'       0.00000    0.00990   -0.00557    0.00000    0.00000
 137 F2    PZ'      -0.09724    0.00000   -0.00000    0.12036    0.09905
 138 F2    DXX       0.00000    0.00056    0.00312    0.00000    0.00000
 139 F2    DYY       0.00000    0.00152   -0.00180    0.00000    0.00000
 140 F2    DZZ       0.00000    0.00155    0.01746    0.00000    0.00000
 141 F2    DXY       0.00000    0.00035    0.00498    0.00000    0.00000
 142 F2    DXZ      -0.00176    0.00000    0.00000   -0.00004   -0.00579
 143 F2    DYZ      -0.00453    0.00000    0.00000   -0.00804   -0.04008
 144 F3    S1        0.01949   -0.00061    0.00785   -0.01918   -0.00512
 145 F3    S        -0.01559    0.00203   -0.04062    0.00067   -0.03283
 146 F3    PX        0.01516    0.00028    0.09147   -0.01084    0.00181
 147 F3    PY       -0.05646   -0.00259   -0.00414    0.03234   -0.05566
 148 F3    PZ        0.02992   -0.00458   -0.01276    0.02183    0.13782
 149 F3    S'       -0.28120    0.00428   -0.03381    0.36920    0.31571
 150 F3    PX'       0.04958    0.00077    0.10645   -0.04005   -0.02223
 151 F3    PY'      -0.09985   -0.00156   -0.00803    0.11080    0.06038
 152 F3    PZ'       0.08123   -0.00530    0.01988   -0.06203    0.00523
 153 F3    DXX       0.00613    0.00034   -0.00575   -0.01493   -0.02155
 154 F3    DYY       0.01228    0.00085   -0.01104   -0.01106    0.00444
 155 F3    DZZ       0.01023   -0.00044   -0.01203   -0.01149   -0.00122
 156 F3    DXY      -0.00258   -0.00034   -0.00611   -0.00232   -0.01796
 157 F3    DXZ       0.00101   -0.00030    0.00260    0.00760    0.02902
 158 F3    DYZ      -0.00109   -0.00036    0.00901   -0.00815   -0.03409
 159 Br1   S         0.00000    0.00004    0.00258    0.00000    0.00000
 160 Br1   S         0.00000    0.00040    0.02829    0.00000    0.00000
 161 Br1   PX       -0.00000   -0.00126   -0.03267   -0.00000    0.00000
 162 Br1   PY       -0.00000   -0.09896    0.00134    0.00000    0.00000
 163 Br1   PZ       -0.04782    0.00000    0.00000   -0.06564    0.03456
 164 Br1   S         0.00000    0.00022    0.01557    0.00000    0.00000
 165 Br1   PX        0.00000    0.00436    0.11270    0.00000    0.00000
 166 Br1   PY        0.00000    0.34155   -0.00462    0.00000    0.00000
 167 Br1   PZ        0.16423   -0.00000   -0.00000    0.22673   -0.11946
 168 Br1   S         0.00000    0.00259    0.18665    0.00000    0.00000
 169 Br1   PX       -0.00000   -0.01497   -0.38787   -0.00000    0.00000
 170 Br1   PY       -0.00000   -1.17950    0.01576   -0.00000    0.00000
 171 Br1   PZ       -0.52726    0.00000    0.00000   -0.79153    0.41442
 172 Br1   S         0.00000    0.01526    1.03064    0.00000    0.00000
 173 Br1   PX        0.00000    0.02398    0.89019    0.00000    0.00000
 174 Br1   PY        0.00000    1.32356   -0.02095    0.00000   -0.00000
 175 Br1   PZ        0.48199   -0.00000   -0.00000    0.99248   -0.27997
 176 Br1   DXX       0.00000    0.00067    0.01838    0.00000    0.00000
 177 Br1   DYY       0.00000   -0.00082   -0.03777   -0.00000    0.00000
 178 Br1   DZZ       0.00000    0.00031    0.03027    0.00000    0.00000
 179 Br1   DXY       0.00000    0.01972   -0.00023    0.00000    0.00000
 180 Br1   DXZ      -0.04070    0.00000   -0.00000    0.03134    0.07585
 181 Br1   DYZ       0.00038    0.00000    0.00000   -0.00027   -0.00059
 182 Br1   DXX       0.00000   -0.00037   -0.03264   -0.00000    0.00000
 183 Br1   DYY       0.00000   -0.00065   -0.04192   -0.00000    0.00000
 184 Br1   DZZ       0.00000   -0.00029   -0.01771   -0.00000    0.00000
 185 Br1   DXY       0.00000    0.00450    0.00006    0.00000    0.00000
 186 Br1   DXZ      -0.01660    0.00000    0.00000    0.00637    0.01962
 187 Br1   DYZ       0.00015    0.00000    0.00000   -0.00005   -0.00014
 188 Br1   DXX       0.00000   -0.00302   -0.12458   -0.00000   -0.00000
 189 Br1   DYY       0.00000    0.00098    0.01162    0.00000    0.00000
 190 Br1   DZZ       0.00000   -0.00308   -0.24789   -0.00000   -0.00000
 191 Br1   DXY      -0.00000   -0.06301   -0.00010   -0.00000   -0.00000
 192 Br1   DXZ       0.17021   -0.00000    0.00000   -0.08949   -0.25167
 193 Br1   DYZ      -0.00154    0.00000   -0.00000    0.00074    0.00188
  MO:                  76         77         78         79         80    
  Eigenvalues:       0.47277    0.48094    0.50586    0.51801    0.51818
          (ev)      12.86481   13.08705   13.76510   14.09565   14.10028

                       A'         A'         A'         A'         A"     
   1 *C1   S1       -0.02786   -0.00213    0.00236    0.01716    0.00000
   2 *C1   S         0.00020    0.02531   -0.04539   -0.36314   -0.00000
   3 *C1   PX        0.11336    0.03668   -0.04964   -0.25542   -0.00000
   4 *C1   PY        0.00696   -0.20786   -0.63640    0.07664    0.00000
   5 *C1   PZ        0.00000    0.00000   -0.00000   -0.00000    0.60634
   6 *C1   S'        1.16836    0.09995   -0.11574   -0.75922    0.00000
   7 *C1   PX'       0.55955    0.02189   -0.01166   -0.11342    0.00000
   8 *C1   PY'      -0.01576    0.19011    0.53135   -0.06369   -0.00000
   9 *C1   PZ'       0.00000    0.00000   -0.00000   -0.00000    1.00617
  10 *C1   DXX      -0.00207   -0.00171    0.00111    0.01551    0.00000
  11 *C1   DYY      -0.00222   -0.00196    0.00364    0.01486    0.00000
  12 *C1   DZZ      -0.00017    0.00835   -0.01311   -0.09108   -0.00000
  13 *C1   DXY      -0.00022   -0.00562   -0.06529    0.00963    0.00000
  14 *C1   DXZ       0.00000    0.00000    0.00000    0.00000   -0.00394
  15 *C1   DYZ       0.00000    0.00000    0.00000    0.00000    0.00054
  16 *C4   S1        0.02127   -0.00077   -0.00454   -0.05332   -0.00000
  17 *C4   S        -0.31555    0.00146   -0.03984   -0.31584   -0.00000
  18 *C4   PX       -0.14984   -0.01826    0.01433    0.19998    0.00000
  19 *C4   PY        0.02966   -0.37654    0.03205   -0.02216    0.00000
  20 *C4   PZ       -0.00000   -0.00000    0.00000    0.00000   -0.26909
  21 *C4   S'        0.41621    0.02750    0.14930    1.09159   -0.00000
  22 *C4   PX'       2.04150    0.15674   -0.11269   -1.21802    0.00000
  23 *C4   PY'       0.05791   -0.13264    0.26396   -0.01647    0.00000
  24 *C4   PZ'       0.00000    0.00000    0.00000    0.00000   -2.23952
  25 *C4   DXX       0.02864    0.00263   -0.00153   -0.02374   -0.00000
  26 *C4   DYY      -0.01169   -0.00058    0.00305    0.03876    0.00000
  27 *C4   DZZ      -0.06474   -0.00171   -0.01104   -0.10633   -0.00000
  28 *C4   DXY       0.00156    0.01194   -0.01073    0.00343    0.00000
  29 *C4   DXZ       0.00000    0.00000    0.00000    0.00000   -0.03322
  30 *C4   DYZ       0.00000    0.00000    0.00000    0.00000    0.00008
  31 C2    S1        0.03511    0.00612   -0.00451   -0.01523   -0.06104
  32 C2    S        -0.10705    0.00006   -0.02976   -0.34131    0.07617
  33 C2    PX       -0.15742   -0.03421    0.01295   -0.00870    0.25195
  34 C2    PY        0.00788   -0.17285   -0.30354    0.01621    0.00551
  35 C2    PZ       -0.06616    0.01269   -0.02402   -0.17913    0.07529
  36 C2    S'       -1.10665   -0.16659    0.17587    1.11642    0.46092
  37 C2    PX'      -0.31920   -0.06222    0.05249    0.17982   -1.19504
  38 C2    PY'       0.00851    0.03889    0.27585   -0.02237    0.01879
  39 C2    PZ'      -0.58245   -0.06560    0.09335    0.64688    1.07149
  40 C2    DXX       0.00156    0.00419   -0.00579   -0.04198   -0.04585
  41 C2    DYY      -0.01003   -0.00161    0.00072    0.00375    0.03003
  42 C2    DZZ       0.00230   -0.00044   -0.00009   -0.00972   -0.02767
  43 C2    DXY       0.00250   -0.01413    0.01176   -0.00212    0.00613
  44 C2    DXZ      -0.00201   -0.00519    0.00634    0.04288    0.03716
  45 C2    DYZ       0.00102   -0.00886   -0.03097    0.00364    0.00068
  46 *C2   S1        0.03511    0.00612   -0.00451   -0.01523    0.06104
  47 *C2   S        -0.10705    0.00006   -0.02976   -0.34131   -0.07617
  48 *C2   PX       -0.15742   -0.03421    0.01295   -0.00870   -0.25195
  49 *C2   PY        0.00788   -0.17285   -0.30354    0.01621   -0.00551
  50 *C2   PZ        0.06616   -0.01269    0.02402    0.17913    0.07529
  51 *C2   S'       -1.10665   -0.16659    0.17587    1.11642   -0.46092
  52 *C2   PX'      -0.31920   -0.06222    0.05249    0.17982    1.19504
  53 *C2   PY'       0.00851    0.03889    0.27585   -0.02237   -0.01879
  54 *C2   PZ'       0.58245    0.06560   -0.09335   -0.64688    1.07149
  55 *C2   DXX       0.00156    0.00419   -0.00579   -0.04198    0.04585
  56 *C2   DYY      -0.01003   -0.00161    0.00072    0.00375   -0.03003
  57 *C2   DZZ       0.00230   -0.00044   -0.00009   -0.00972    0.02767
  58 *C2   DXY       0.00250   -0.01413    0.01176   -0.00212   -0.00613
  59 *C2   DXZ       0.00201    0.00519   -0.00634   -0.04288    0.03716
  60 *C2   DYZ      -0.00102    0.00886    0.03097   -0.00364    0.00068
  61 *C3   S1       -0.04548   -0.00704    0.00657    0.03386   -0.05793
  62 *C3   S        -0.08490   -0.00756   -0.03079   -0.43005    0.03461
  63 *C3   PX       -0.07068   -0.03728    0.01780   -0.00421   -0.09577
  64 *C3   PY        0.04905   -0.43422   -0.03520   -0.03558   -0.08141
  65 *C3   PZ        0.07752    0.00893    0.02426    0.30710   -0.11329
  66 *C3   S'        1.43328    0.19241   -0.13878   -0.49997    1.04871
  67 *C3   PX'      -0.56327   -0.07470    0.06407    0.41041    1.11169
  68 *C3   PY'      -0.05619    0.47760   -0.12619    0.04908    0.07552
  69 *C3   PZ'      -0.83530   -0.04535    0.05253    0.49345   -1.01793
  70 *C3   DXX      -0.04883   -0.00623   -0.00155   -0.04690   -0.05877
  71 *C3   DYY       0.00655    0.00205   -0.00206   -0.00386    0.02980
  72 *C3   DZZ       0.01085   -0.00120    0.00203   -0.00514   -0.01163
  73 *C3   DXY      -0.00228    0.01218   -0.00408    0.00173    0.00605
  74 *C3   DXZ       0.00038   -0.00581    0.00758    0.04217   -0.01566
  75 *C3   DYZ      -0.00231    0.02128   -0.01534    0.00192    0.00292
  76 C3    S1       -0.04548   -0.00704    0.00657    0.03386    0.05793
  77 C3    S        -0.08490   -0.00756   -0.03079   -0.43005   -0.03461
  78 C3    PX       -0.07068   -0.03728    0.01780   -0.00421    0.09577
  79 C3    PY        0.04905   -0.43422   -0.03520   -0.03558    0.08141
  80 C3    PZ       -0.07752   -0.00893   -0.02426   -0.30710   -0.11329
  81 C3    S'        1.43328    0.19241   -0.13878   -0.49997   -1.04871
  82 C3    PX'      -0.56327   -0.07470    0.06407    0.41041   -1.11169
  83 C3    PY'      -0.05619    0.47760   -0.12619    0.04908   -0.07552
  84 C3    PZ'       0.83530    0.04535   -0.05253   -0.49345   -1.01793
  85 C3    DXX      -0.04883   -0.00623   -0.00155   -0.04690    0.05877
  86 C3    DYY       0.00655    0.00205   -0.00206   -0.00386   -0.02980
  87 C3    DZZ       0.01085   -0.00120    0.00203   -0.00514    0.01163
  88 C3    DXY      -0.00228    0.01218   -0.00408    0.00173   -0.00605
  89 C3    DXZ      -0.00038    0.00581   -0.00758   -0.04217   -0.01566
  90 C3    DYZ       0.00231   -0.02128    0.01534   -0.00192    0.00292
  91 H2    S         0.04763   -0.00930    0.01574    0.09295   -0.07779
  92 H2    S'       -0.24670   -0.00880    0.00901    0.02525    0.15608
  93 *H2   S         0.04763   -0.00930    0.01574    0.09295    0.07779
  94 *H2   S'       -0.24670   -0.00880    0.00901    0.02525   -0.15608
  95 *H3   S        -0.07351   -0.03694    0.03860    0.15300   -0.18817
  96 *H3   S'        0.26640    0.02272   -0.05386   -0.52117    0.05958
  97 H3    S        -0.07351   -0.03694    0.03860    0.15300    0.18817
  98 H3    S'        0.26640    0.02272   -0.05386   -0.52117   -0.05958
  99 C7    S1        0.02374    0.00164    0.00110    0.01133    0.00000
 100 C7    S        -0.53162   -0.09062    0.02321   -0.13395    0.00000
 101 C7    PX       -0.58213   -0.04145    0.01029    0.14172    0.00000
 102 C7    PY        0.07219   -0.51781    0.35275   -0.03914    0.00000
 103 C7    PZ        0.00000   -0.00000    0.00000    0.00000   -0.15967
 104 C7    S'       -0.27486    0.08072   -0.04010    0.55091   -0.00000
 105 C7    PX'       2.33313    0.18919   -0.02971   -0.33261   -0.00000
 106 C7    PY'      -0.11071    1.18967   -0.90878    0.04920   -0.00000
 107 C7    PZ'       0.00000    0.00000   -0.00000   -0.00000    1.12895
 108 C7    DXX      -0.05806   -0.01022    0.00392    0.02320    0.00000
 109 C7    DYY       0.05268    0.05476   -0.03617   -0.00286   -0.00000
 110 C7    DZZ       0.06825   -0.04041    0.03032   -0.01810   -0.00000
 111 C7    DXY      -0.01059    0.04393   -0.02330    0.00360    0.00000
 112 C7    DXZ       0.00000    0.00000    0.00000   -0.00000    0.03813
 113 C7    DYZ       0.00000    0.00000    0.00000    0.00000   -0.02017
 114 F1    S1        0.02403   -0.00621    0.00547   -0.00105   -0.01848
 115 F1    S        -0.04734   -0.00843    0.01154    0.02476    0.02346
 116 F1    PX       -0.12146   -0.01510   -0.00397   -0.00355    0.01704
 117 F1    PY        0.06292   -0.09483    0.06522    0.00219    0.02450
 118 F1    PZ        0.08543   -0.02685    0.01681   -0.01361   -0.07621
 119 F1    S'       -0.47322    0.19434   -0.18066   -0.02429    0.38534
 120 F1    PX'      -0.11868   -0.05369    0.03174    0.00528   -0.06949
 121 F1    PY'      -0.11851   -0.09080    0.06295   -0.00607    0.11145
 122 F1    PZ'      -0.23338    0.08571   -0.07604    0.01066    0.07605
 123 F1    DXX       0.04267   -0.00579    0.00739    0.00848    0.00066
 124 F1    DYY      -0.00711   -0.03032    0.02477    0.00962   -0.00483
 125 F1    DZZ      -0.07459    0.02840   -0.01982    0.01354    0.00614
 126 F1    DXY       0.01086   -0.00779    0.00340    0.00395   -0.00943
 127 F1    DXZ       0.01604   -0.02046    0.01478    0.00173   -0.02162
 128 F1    DYZ      -0.05434   -0.00484    0.00046    0.00302    0.02210
 129 F2    S1        0.01885    0.01997   -0.01469   -0.00405   -0.00000
 130 F2    S        -0.08137   -0.00136   -0.02955   -0.04702   -0.00000
 131 F2    PX       -0.09937   -0.00827    0.02120    0.02886    0.00000
 132 F2    PY       -0.07331   -0.16520    0.10139   -0.02042    0.00000
 133 F2    PZ       -0.00000   -0.00000    0.00000    0.00000   -0.10309
 134 F2    S'       -0.29870   -0.55872    0.44894    0.08191    0.00000
 135 F2    PX'      -0.15569    0.07161   -0.06726   -0.00849   -0.00000
 136 F2    PY'       0.22894    0.15825   -0.10649    0.00234   -0.00000
 137 F2    PZ'       0.00000    0.00000    0.00000    0.00000   -0.11001
 138 F2    DXX       0.02508    0.02166   -0.02306   -0.02081   -0.00000
 139 F2    DYY      -0.10496   -0.06254    0.02321   -0.03146    0.00000
 140 F2    DZZ      -0.00849    0.03346   -0.03742   -0.02882   -0.00000
 141 F2    DXY      -0.00134   -0.04455    0.02936   -0.00986    0.00000
 142 F2    DXZ       0.00000    0.00000    0.00000    0.00000    0.00123
 143 F2    DYZ       0.00000    0.00000    0.00000    0.00000    0.01035
 144 F3    S1        0.02403   -0.00621    0.00547   -0.00105    0.01848
 145 F3    S        -0.04734   -0.00843    0.01154    0.02476   -0.02346
 146 F3    PX       -0.12146   -0.01510   -0.00397   -0.00355   -0.01704
 147 F3    PY        0.06292   -0.09483    0.06522    0.00219   -0.02450
 148 F3    PZ       -0.08543    0.02685   -0.01681    0.01361   -0.07621
 149 F3    S'       -0.47322    0.19434   -0.18066   -0.02429   -0.38534
 150 F3    PX'      -0.11868   -0.05369    0.03174    0.00528    0.06949
 151 F3    PY'      -0.11851   -0.09080    0.06295   -0.00607   -0.11145
 152 F3    PZ'       0.23338   -0.08571    0.07604   -0.01066    0.07605
 153 F3    DXX       0.04267   -0.00579    0.00739    0.00848   -0.00066
 154 F3    DYY      -0.00711   -0.03032    0.02477    0.00962    0.00483
 155 F3    DZZ      -0.07459    0.02840   -0.01982    0.01354   -0.00614
 156 F3    DXY       0.01086   -0.00779    0.00340    0.00395    0.00943
 157 F3    DXZ      -0.01604    0.02046   -0.01478   -0.00173   -0.02162
 158 F3    DYZ       0.05434    0.00484   -0.00046   -0.00302    0.02210
 159 Br1   S        -0.00056   -0.00021    0.00016    0.00056    0.00000
 160 Br1   S        -0.00454   -0.00151    0.00092    0.00156    0.00000
 161 Br1   PX        0.01036    0.00213   -0.00124   -0.00345    0.00000
 162 Br1   PY       -0.00028    0.00331    0.00313    0.00025    0.00000
 163 Br1   PZ        0.00000    0.00000    0.00000    0.00000   -0.01147
 164 Br1   S         0.00018    0.00054   -0.00083   -0.00705   -0.00000
 165 Br1   PX       -0.03598   -0.00737    0.00428    0.01175    0.00000
 166 Br1   PY        0.00097   -0.01149   -0.01108   -0.00084    0.00000
 167 Br1   PZ        0.00000    0.00000    0.00000   -0.00000    0.04028
 168 Br1   S        -0.03741   -0.01277    0.00833    0.02027    0.00000
 169 Br1   PX        0.13636    0.02506   -0.01312   -0.02681    0.00000
 170 Br1   PY       -0.00347    0.04326    0.05415    0.00103    0.00000
 171 Br1   PZ       -0.00000   -0.00000    0.00000    0.00000   -0.17326
 172 Br1   S         0.01124   -0.03057    0.01870    0.01072    0.00000
 173 Br1   PX       -0.09092   -0.03566    0.01839    0.02791    0.00000
 174 Br1   PY        0.00506   -0.09568   -0.21686    0.01725   -0.00000
 175 Br1   PZ        0.00000    0.00000   -0.00000   -0.00000    0.25188
 176 Br1   DXX       0.00699    0.00305   -0.00731   -0.03770   -0.00000
 177 Br1   DYY      -0.01088    0.00080    0.00220    0.00926    0.00000
 178 Br1   DZZ       0.00204   -0.00442    0.00544    0.02885    0.00000
 179 Br1   DXY       0.00016   -0.02195   -0.12744    0.01897    0.00000
 180 Br1   DXZ       0.00000    0.00000    0.00000   -0.00000    0.08320
 181 Br1   DYZ       0.00000    0.00000    0.00000    0.00000   -0.00102
 182 Br1   DXX       0.00497    0.00200   -0.00257   -0.00914    0.00000
 183 Br1   DYY       0.00016    0.00128    0.00012    0.00360    0.00000
 184 Br1   DZZ       0.00450   -0.00050    0.00137    0.01073    0.00000
 185 Br1   DXY      -0.00002   -0.00551   -0.03631    0.00545    0.00000
 186 Br1   DXZ       0.00000    0.00000    0.00000   -0.00000    0.02682
 187 Br1   DYZ       0.00000    0.00000    0.00000    0.00000   -0.00033
 188 Br1   DXX      -0.01145   -0.01080    0.02898    0.16134    0.00000
 189 Br1   DYY       0.05073   -0.00053   -0.00861   -0.02359    0.00000
 190 Br1   DZZ      -0.00143    0.02065   -0.02287   -0.10782   -0.00000
 191 Br1   DXY      -0.00009    0.07581    0.48134   -0.07274   -0.00000
 192 Br1   DXZ      -0.00000   -0.00000    0.00000    0.00000   -0.34475
 193 Br1   DYZ       0.00000    0.00000   -0.00000    0.00000    0.00419
  MO:                  81         82         83         84         85    
  Eigenvalues:       0.55010    0.55814    0.56030    0.56391    0.57779
          (ev)      14.96887   15.18776   15.24647   15.34475   15.72247

                       A'         A"         A'         A'         A'     
   1 *C1   S1       -0.05833   -0.00000    0.02183    0.04792   -0.00541
   2 *C1   S        -0.00011    0.00000   -0.09398   -0.38163   -0.14748
   3 *C1   PX        0.18835    0.00000   -0.08598   -0.25003   -0.12292
   4 *C1   PY       -0.05573    0.00000   -0.26894    0.06562   -0.00698
   5 *C1   PZ       -0.00000   -0.05259   -0.00000   -0.00000    0.00000
   6 *C1   S'        2.99389   -0.00000   -0.46902    0.32716    0.14179
   7 *C1   PX'       1.72579   -0.00000   -0.33666   -0.03148    0.47525
   8 *C1   PY'       0.04876   -0.00000    0.42027   -0.10282    0.00747
   9 *C1   PZ'      -0.00000   -0.07689    0.00000    0.00000   -0.00000
  10 *C1   DXX       0.02604    0.00000   -0.01265   -0.02712    0.01708
  11 *C1   DYY      -0.00228    0.00000   -0.00419   -0.02439    0.00814
  12 *C1   DZZ      -0.00739   -0.00000    0.01323    0.05019   -0.05631
  13 *C1   DXY      -0.00994    0.00000   -0.05503    0.01273   -0.00136
  14 *C1   DXZ       0.00000    0.00316    0.00000    0.00000   -0.00000
  15 *C1   DYZ      -0.00000   -0.01882   -0.00000    0.00000    0.00000
  16 *C4   S1        0.05224   -0.00000   -0.00311    0.04049    0.01464
  17 *C4   S        -0.15266    0.00000   -0.05079   -0.25785    0.48325
  18 *C4   PX        0.52575   -0.00000   -0.04607    0.18041    0.29707
  19 *C4   PY        0.00582   -0.00000    0.07883   -0.02589   -0.08941
  20 *C4   PZ        0.00000    0.02770   -0.00000   -0.00000    0.00000
  21 *C4   S'       -2.53909    0.00000    0.61959    0.92098    0.28417
  22 *C4   PX'       2.36093   -0.00000   -0.45549    0.38854    1.10119
  23 *C4   PY'      -0.05119    0.00000   -0.31112    0.09247    0.10431
  24 *C4   PZ'       0.00000    0.11178   -0.00000    0.00000    0.00000
  25 *C4   DXX      -0.03291    0.00000    0.00192    0.00231    0.11115
  26 *C4   DYY       0.00349    0.00000   -0.00537   -0.03922   -0.04902
  27 *C4   DZZ      -0.00062   -0.00000    0.00901    0.07062    0.07847
  28 *C4   DXY      -0.00239    0.00000    0.00122   -0.00033    0.00185
  29 *C4   DXZ       0.00000   -0.00193   -0.00000   -0.00000    0.00000
  30 *C4   DYZ      -0.00000   -0.01620   -0.00000    0.00000    0.00000
  31 C2    S1        0.09042    0.00463   -0.02476   -0.04571   -0.00898
  32 C2    S        -0.12179    0.00259   -0.05732   -0.21177    0.03598
  33 C2    PX       -0.20182    0.00317   -0.03089   -0.21544    0.14259
  34 C2    PY        0.04604    0.53147    0.37653   -0.09633    0.01784
  35 C2    PZ       -0.08974   -0.01638    0.06651    0.22994   -0.10723
  36 C2    S'       -3.06576   -0.00448    0.66706    0.30972   -0.59788
  37 C2    PX'      -1.28497    0.09730    0.30922    0.33343   -0.41456
  38 C2    PY'      -0.03450   -0.58916   -0.45089    0.11803   -0.01011
  39 C2    PZ'      -1.80371   -0.06360    0.29263   -0.15588    0.01695
  40 C2    DXX       0.00155    0.00694   -0.01409   -0.06009   -0.03755
  41 C2    DYY      -0.01974   -0.00410    0.01382    0.04796    0.00538
  42 C2    DZZ       0.01540    0.00364   -0.02312   -0.07893    0.01575
  43 C2    DXY       0.00269    0.02714    0.01262   -0.00137    0.00303
  44 C2    DXZ       0.02998   -0.00254   -0.00675    0.00402    0.03415
  45 C2    DYZ      -0.00434    0.02366   -0.02464    0.00547    0.00009
  46 *C2   S1        0.09042   -0.00463   -0.02476   -0.04571   -0.00898
  47 *C2   S        -0.12179   -0.00259   -0.05732   -0.21177    0.03598
  48 *C2   PX       -0.20182   -0.00317   -0.03089   -0.21544    0.14259
  49 *C2   PY        0.04604   -0.53147    0.37653   -0.09633    0.01784
  50 *C2   PZ        0.08974   -0.01638   -0.06651   -0.22994    0.10723
  51 *C2   S'       -3.06576    0.00448    0.66706    0.30972   -0.59788
  52 *C2   PX'      -1.28497   -0.09730    0.30922    0.33343   -0.41456
  53 *C2   PY'      -0.03450    0.58916   -0.45089    0.11803   -0.01011
  54 *C2   PZ'       1.80371   -0.06360   -0.29263    0.15588   -0.01695
  55 *C2   DXX       0.00155   -0.00694   -0.01409   -0.06009   -0.03755
  56 *C2   DYY      -0.01974    0.00410    0.01382    0.04796    0.00538
  57 *C2   DZZ       0.01540   -0.00364   -0.02312   -0.07893    0.01575
  58 *C2   DXY       0.00269   -0.02714    0.01262   -0.00137    0.00303
  59 *C2   DXZ      -0.02998   -0.00254    0.00675   -0.00402   -0.03415
  60 *C2   DYZ       0.00434    0.02366    0.02464   -0.00547   -0.00009
  61 *C3   S1       -0.09945    0.00308    0.01108   -0.02244    0.00789
  62 *C3   S        -0.01165   -0.00971   -0.09372   -0.18545    0.27897
  63 *C3   PX       -0.09604    0.01451    0.07472    0.35235    0.28823
  64 *C3   PY        0.06106   -0.29127    0.27227   -0.06098    0.03017
  65 *C3   PZ       -0.08754    0.00080   -0.01354   -0.24651   -0.08753
  66 *C3   S'        3.21176   -0.00888   -0.49739    0.06989    0.14464
  67 *C3   PX'      -1.50183   -0.12630    0.21918   -0.41164   -0.77319
  68 *C3   PY'      -0.03369    0.22753   -0.13911    0.01949   -0.04668
  69 *C3   PZ'      -2.02572    0.08473    0.45833    0.29459   -0.36557
  70 *C3   DXX      -0.02406    0.00279   -0.01279   -0.03722    0.05078
  71 *C3   DYY       0.03617   -0.00227    0.00369    0.03412   -0.02385
  72 *C3   DZZ      -0.04267    0.00100   -0.01217   -0.06509    0.04211
  73 *C3   DXY      -0.00092    0.03137   -0.00592    0.00214   -0.00379
  74 *C3   DXZ      -0.00144    0.00029   -0.00028    0.01064    0.03790
  75 *C3   DYZ      -0.00010    0.01796    0.00608   -0.00117    0.00286
  76 C3    S1       -0.09945   -0.00308    0.01108   -0.02244    0.00789
  77 C3    S        -0.01165    0.00971   -0.09372   -0.18545    0.27897
  78 C3    PX       -0.09604   -0.01451    0.07472    0.35235    0.28823
  79 C3    PY        0.06106    0.29127    0.27227   -0.06098    0.03017
  80 C3    PZ        0.08754    0.00080    0.01354    0.24651    0.08753
  81 C3    S'        3.21176    0.00888   -0.49739    0.06989    0.14464
  82 C3    PX'      -1.50183    0.12630    0.21918   -0.41164   -0.77319
  83 C3    PY'      -0.03369   -0.22753   -0.13911    0.01949   -0.04668
  84 C3    PZ'       2.02572    0.08473   -0.45833   -0.29459    0.36557
  85 C3    DXX      -0.02406   -0.00279   -0.01279   -0.03722    0.05078
  86 C3    DYY       0.03617    0.00227    0.00369    0.03412   -0.02385
  87 C3    DZZ      -0.04267   -0.00100   -0.01217   -0.06509    0.04211
  88 C3    DXY      -0.00092   -0.03137   -0.00592    0.00214   -0.00379
  89 C3    DXZ       0.00144    0.00029    0.00028   -0.01064   -0.03790
  90 C3    DYZ       0.00010    0.01796   -0.00608    0.00117   -0.00286
  91 H2    S         0.19826    0.01334   -0.10682   -0.26941    0.12178
  92 H2    S'       -0.97519   -0.00548    0.19475    0.08130   -0.15433
  93 *H2   S         0.19826   -0.01334   -0.10682   -0.26941    0.12178
  94 *H2   S'       -0.97519    0.00548    0.19475    0.08130   -0.15433
  95 *H3   S        -0.16026    0.00816   -0.04371   -0.19650    0.26563
  96 *H3   S'        1.10784   -0.00937   -0.23145    0.03238    0.31122
  97 H3    S        -0.16026   -0.00816   -0.04371   -0.19650    0.26563
  98 H3    S'        1.10784    0.00937   -0.23145    0.03238    0.31122
  99 C7    S1        0.03150   -0.00000   -0.00527    0.00607    0.03167
 100 C7    S         0.29613   -0.00000   -0.03533    0.17663    0.34517
 101 C7    PX        0.26118   -0.00000   -0.04001   -0.07524   -0.28774
 102 C7    PY       -0.04904    0.00000   -0.35575    0.08964   -0.03998
 103 C7    PZ        0.00000   -0.01445   -0.00000    0.00000   -0.00000
 104 C7    S'       -1.84537    0.00000    0.29733   -0.73335   -1.30125
 105 C7    PX'       0.03949   -0.00000   -0.01620    0.40875    1.33061
 106 C7    PY'       0.22836   -0.00000    1.01423   -0.20899    0.19080
 107 C7    PZ'      -0.00000    0.02064    0.00000   -0.00000    0.00000
 108 C7    DXX       0.05051   -0.00000   -0.00748    0.00385    0.07283
 109 C7    DYY      -0.02543   -0.00000    0.03993   -0.00749    0.01131
 110 C7    DZZ      -0.03802    0.00000   -0.02601    0.00961   -0.00689
 111 C7    DXY       0.00665   -0.00000    0.02139   -0.00196    0.01097
 112 C7    DXZ      -0.00000   -0.00018    0.00000    0.00000   -0.00000
 113 C7    DYZ       0.00000    0.00103    0.00000    0.00000   -0.00000
 114 F1    S1       -0.01510   -0.00086   -0.00488   -0.00089   -0.00163
 115 F1    S         0.03105   -0.02930   -0.00772    0.02194    0.12564
 116 F1    PX        0.01726    0.01493    0.01354   -0.02610   -0.16566
 117 F1    PY       -0.03278    0.00667   -0.07430    0.01307   -0.03667
 118 F1    PZ       -0.01630    0.00304   -0.00834   -0.01854   -0.04173
 119 F1    S'        0.29951    0.05790    0.16948   -0.02309   -0.17838
 120 F1    PX'      -0.03789   -0.00708   -0.03873   -0.03248   -0.09953
 121 F1    PY'       0.05922   -0.00265   -0.06986    0.02270   -0.01095
 122 F1    PZ'       0.14498   -0.00143    0.07310    0.00462    0.00560
 123 F1    DXX      -0.01351   -0.00989   -0.00001    0.01075    0.04534
 124 F1    DYY      -0.00256   -0.01485   -0.02311    0.00969    0.03887
 125 F1    DZZ       0.03862   -0.01437    0.01739    0.00459    0.05574
 126 F1    DXY      -0.00257    0.00164   -0.00247   -0.00093    0.00230
 127 F1    DXZ      -0.00646    0.00069   -0.01594   -0.00367   -0.00496
 128 F1    DYZ       0.02945    0.00104    0.00076    0.00453    0.01144
 129 F2    S1       -0.00839   -0.00000    0.01749   -0.00312    0.01021
 130 F2    S         0.05533   -0.00000    0.00782    0.01770    0.12094
 131 F2    PX        0.00380    0.00000   -0.03057   -0.01486   -0.16004
 132 F2    PY        0.02138    0.00000   -0.10056    0.03696    0.01855
 133 F2    PZ        0.00000   -0.01018   -0.00000    0.00000    0.00000
 134 F2    S'        0.10580    0.00000   -0.48736    0.09682   -0.33830
 135 F2    PX'       0.00238   -0.00000    0.08442   -0.04391   -0.04685
 136 F2    PY'      -0.11992   -0.00000    0.13783   -0.04281    0.04765
 137 F2    PZ'       0.00000    0.00217    0.00000    0.00000   -0.00000
 138 F2    DXX       0.00091   -0.00000    0.01711    0.00930    0.06674
 139 F2    DYY       0.05334    0.00000   -0.03692    0.02357    0.05934
 140 F2    DZZ       0.00676   -0.00000    0.03485   -0.00321    0.05061
 141 F2    DXY      -0.00274    0.00000   -0.03089    0.01155   -0.01050
 142 F2    DXZ       0.00000   -0.00257    0.00000    0.00000    0.00000
 143 F2    DYZ       0.00000    0.00081    0.00000    0.00000    0.00000
 144 F3    S1       -0.01510    0.00086   -0.00488   -0.00089   -0.00163
 145 F3    S         0.03105    0.02930   -0.00772    0.02194    0.12564
 146 F3    PX        0.01726   -0.01493    0.01354   -0.02610   -0.16566
 147 F3    PY       -0.03278   -0.00667   -0.07430    0.01307   -0.03667
 148 F3    PZ        0.01630    0.00304    0.00834    0.01854    0.04173
 149 F3    S'        0.29951   -0.05790    0.16948   -0.02309   -0.17838
 150 F3    PX'      -0.03789    0.00708   -0.03873   -0.03248   -0.09953
 151 F3    PY'       0.05922    0.00265   -0.06986    0.02270   -0.01095
 152 F3    PZ'      -0.14498   -0.00143   -0.07310   -0.00462   -0.00560
 153 F3    DXX      -0.01351    0.00989   -0.00001    0.01075    0.04534
 154 F3    DYY      -0.00256    0.01485   -0.02311    0.00969    0.03887
 155 F3    DZZ       0.03862    0.01437    0.01739    0.00459    0.05574
 156 F3    DXY      -0.00257   -0.00164   -0.00247   -0.00093    0.00230
 157 F3    DXZ       0.00646    0.00069    0.01594    0.00367    0.00496
 158 F3    DYZ      -0.02945    0.00104   -0.00076   -0.00453   -0.01144
 159 Br1   S        -0.00003    0.00000   -0.00010   -0.00010    0.00072
 160 Br1   S        -0.00597    0.00000    0.00052    0.00030    0.00173
 161 Br1   PX        0.01264    0.00000   -0.00187   -0.00026   -0.00107
 162 Br1   PY       -0.00189    0.00000   -0.01436    0.00366   -0.00058
 163 Br1   PZ        0.00000    0.00094    0.00000    0.00000    0.00000
 164 Br1   S        -0.01291    0.00000    0.00306    0.00257   -0.00932
 165 Br1   PX       -0.04455    0.00000    0.00671    0.00118    0.00326
 166 Br1   PY        0.00653   -0.00000    0.04975   -0.01269    0.00202
 167 Br1   PZ        0.00000   -0.00329    0.00000    0.00000   -0.00000
 168 Br1   S        -0.02057   -0.00000   -0.00466   -0.01034    0.03797
 169 Br1   PX        0.20953   -0.00000   -0.03611   -0.01338    0.01662
 170 Br1   PY       -0.02294    0.00000   -0.17539    0.04514   -0.00750
 171 Br1   PZ       -0.00000    0.01353    0.00000    0.00000    0.00000
 172 Br1   S         0.15687   -0.00000   -0.05344   -0.01756    0.13879
 173 Br1   PX       -0.01384    0.00000   -0.02044   -0.02477    0.10710
 174 Br1   PY        0.01099   -0.00000    0.13262   -0.03546    0.00586
 175 Br1   PZ        0.00000   -0.01800   -0.00000   -0.00000   -0.00000
 176 Br1   DXX       0.00878    0.00000   -0.00541   -0.00706   -0.02321
 177 Br1   DYY      -0.03301    0.00000    0.01164   -0.00416   -0.00841
 178 Br1   DZZ       0.02168   -0.00000   -0.00599    0.01139    0.03234
 179 Br1   DXY      -0.02168    0.00000   -0.13172    0.03181   -0.00421
 180 Br1   DXZ      -0.00000   -0.00550    0.00000   -0.00000    0.00000
 181 Br1   DYZ      -0.00000   -0.13936   -0.00000   -0.00000   -0.00000
 182 Br1   DXX       0.01205   -0.00000   -0.00295   -0.00287   -0.00375
 183 Br1   DYY       0.00240   -0.00000    0.00089   -0.00405    0.00162
 184 Br1   DZZ       0.02011   -0.00000   -0.00478   -0.00005    0.01493
 185 Br1   DXY      -0.00610    0.00000   -0.03674    0.00879   -0.00115
 186 Br1   DXZ      -0.00000   -0.00173    0.00000    0.00000    0.00000
 187 Br1   DYZ      -0.00000   -0.04318   -0.00000   -0.00000   -0.00000
 188 Br1   DXX       0.04068   -0.00000    0.00063    0.00150    0.13570
 189 Br1   DYY       0.16989   -0.00000   -0.05392    0.00908    0.05237
 190 Br1   DZZ      -0.05719    0.00000    0.01951   -0.04929   -0.12017
 191 Br1   DXY       0.08388   -0.00000    0.51226   -0.12340    0.01620
 192 Br1   DXZ       0.00000    0.02297    0.00000    0.00000   -0.00000
 193 Br1   DYZ       0.00000    0.56882    0.00000    0.00000    0.00000
  MO:                  86         87         88         89         90    
  Eigenvalues:       0.58078    0.58427    0.58698    0.60498    0.65053
          (ev)      15.80394   15.89886   15.97257   16.46240   17.70193

                       A"         A'         A"         A"         A"     
   1 *C1   S1        0.00000    0.03431   -0.00000    0.00000    0.00000
   2 *C1   S         0.00000   -0.05444    0.00000   -0.00000    0.00000
   3 *C1   PX        0.00000   -0.11392    0.00000    0.00000   -0.00000
   4 *C1   PY        0.00000   -0.00131    0.00000    0.00000    0.00000
   5 *C1   PZ        0.22112   -0.00000    0.15032    0.45743   -0.00322
   6 *C1   S'        0.00000   -0.41993    0.00000   -0.00000    0.00000
   7 *C1   PX'      -0.00000   -0.66483    0.00000   -0.00000    0.00000
   8 *C1   PY'      -0.00000    0.01498   -0.00000   -0.00000    0.00000
   9 *C1   PZ'      -1.54925    0.00000    0.44793    0.96232    0.01815
  10 *C1   DXX      -0.00000   -0.02364    0.00000   -0.00000    0.00000
  11 *C1   DYY      -0.00000   -0.01908    0.00000   -0.00000    0.00000
  12 *C1   DZZ       0.00000    0.04857   -0.00000    0.00000    0.00000
  13 *C1   DXY       0.00000   -0.00074    0.00000    0.00000    0.00000
  14 *C1   DXZ      -0.01980    0.00000   -0.01249   -0.03898    0.00559
  15 *C1   DYZ       0.00092    0.00000    0.01929   -0.00881    0.04082
  16 *C4   S1        0.00000   -0.01944    0.00000    0.00000    0.00000
  17 *C4   S        -0.00000    0.03102   -0.00000   -0.00000   -0.00000
  18 *C4   PX       -0.00000    0.01198   -0.00000   -0.00000    0.00000
  19 *C4   PY        0.00000    0.00261    0.00000    0.00000   -0.00000
  20 *C4   PZ        0.43598   -0.00000   -0.11397   -0.00501    0.12885
  21 *C4   S'        0.00000    0.56213   -0.00000    0.00000   -0.00000
  22 *C4   PX'      -0.00000   -0.99257    0.00000   -0.00000    0.00000
  23 *C4   PY'      -0.00000   -0.00089   -0.00000   -0.00000    0.00000
  24 *C4   PZ'       0.88572   -0.00000   -0.37700   -1.34809   -0.52380
  25 *C4   DXX      -0.00000    0.00919   -0.00000   -0.00000   -0.00000
  26 *C4   DYY       0.00000    0.00745    0.00000    0.00000    0.00000
  27 *C4   DZZ      -0.00000   -0.01393   -0.00000   -0.00000   -0.00000
  28 *C4   DXY       0.00000    0.00011    0.00000    0.00000    0.00000
  29 *C4   DXZ       0.05952   -0.00000   -0.00022   -0.02245   -0.01618
  30 *C4   DYZ       0.00013    0.00000    0.02890   -0.00763   -0.00530
  31 C2    S1       -0.04386   -0.01271   -0.00683   -0.01263    0.00357
  32 C2    S        -0.26648    0.16163   -0.01542   -0.22120   -0.04558
  33 C2    PX       -0.03582   -0.16920   -0.05251   -0.31580   -0.04165
  34 C2    PY        0.00827    0.01440   -0.02871    0.07014   -0.51835
  35 C2    PZ        0.02433    0.19269    0.06168    0.19068   -0.01000
  36 C2    S'        0.36911    0.75024   -0.07278   -0.06265    0.11133
  37 C2    PX'       1.33461    0.86102   -0.52084   -1.15432    0.05545
  38 C2    PY'      -0.03416   -0.02514   -0.10469   -0.04126    0.81607
  39 C2    PZ'      -0.73200    0.41053    0.26008    0.53421    0.04163
  40 C2    DXX      -0.09034    0.05372   -0.01038   -0.02014    0.01177
  41 C2    DYY       0.04286    0.00124    0.00865    0.02661   -0.00283
  42 C2    DZZ      -0.05280   -0.01420   -0.01396   -0.07529   -0.00892
  43 C2    DXY       0.00053   -0.00070   -0.02139    0.00529    0.00041
  44 C2    DXZ       0.00617    0.01144    0.00449    0.00647   -0.00173
  45 C2    DYZ      -0.00049   -0.00043   -0.01050    0.00463   -0.02195
  46 *C2   S1        0.04386   -0.01271    0.00683    0.01263   -0.00357
  47 *C2   S         0.26648    0.16163    0.01542    0.22120    0.04558
  48 *C2   PX        0.03582   -0.16920    0.05251    0.31580    0.04165
  49 *C2   PY       -0.00827    0.01440    0.02871   -0.07014    0.51835
  50 *C2   PZ        0.02433   -0.19269    0.06168    0.19068   -0.01000
  51 *C2   S'       -0.36911    0.75024    0.07278    0.06265   -0.11133
  52 *C2   PX'      -1.33461    0.86102    0.52084    1.15432   -0.05545
  53 *C2   PY'       0.03416   -0.02514    0.10469    0.04126   -0.81607
  54 *C2   PZ'      -0.73200   -0.41053    0.26008    0.53421    0.04163
  55 *C2   DXX       0.09034    0.05372    0.01038    0.02014   -0.01177
  56 *C2   DYY      -0.04286    0.00124   -0.00865   -0.02661    0.00283
  57 *C2   DZZ       0.05280   -0.01420    0.01396    0.07529    0.00892
  58 *C2   DXY      -0.00053   -0.00070    0.02139   -0.00529   -0.00041
  59 *C2   DXZ       0.00617   -0.01144    0.00449    0.00647   -0.00173
  60 *C2   DYZ      -0.00049    0.00043   -0.01050    0.00463   -0.02195
  61 *C3   S1        0.02124    0.01346   -0.00310    0.02702    0.00935
  62 *C3   S         0.23270    0.09868    0.04038    0.30276    0.06270
  63 *C3   PX       -0.45196   -0.13675    0.02178    0.15179    0.07955
  64 *C3   PY        0.03547   -0.00011    0.54995   -0.11096   -0.34586
  65 *C3   PZ        0.22794    0.03322   -0.03744   -0.12906   -0.02489
  66 *C3   S'       -0.05751   -1.26330   -0.17616   -0.66978    0.19153
  67 *C3   PX'      -0.73840    0.73972    0.54868    1.28977   -0.06546
  68 *C3   PY'      -0.03351   -0.00110   -0.70392    0.11672    0.62997
  69 *C3   PZ'       0.39114    0.54329   -0.28949   -0.65151   -0.04474
  70 *C3   DXX       0.04481   -0.01772   -0.00062    0.05510    0.01824
  71 *C3   DYY      -0.03016    0.00467    0.00244   -0.02860   -0.01243
  72 *C3   DZZ       0.05817    0.01541   -0.00123    0.05625    0.02497
  73 *C3   DXY      -0.00138    0.00027   -0.01553    0.00244   -0.00501
  74 *C3   DXZ      -0.02148    0.01601    0.00750    0.02326   -0.00322
  75 *C3   DYZ      -0.00113   -0.00001   -0.02369    0.00531    0.00793
  76 C3    S1       -0.02124    0.01346    0.00310   -0.02702   -0.00935
  77 C3    S        -0.23270    0.09868   -0.04038   -0.30276   -0.06270
  78 C3    PX        0.45196   -0.13675   -0.02178   -0.15179   -0.07955
  79 C3    PY       -0.03547   -0.00011   -0.54995    0.11096    0.34586
  80 C3    PZ        0.22794   -0.03322   -0.03744   -0.12906   -0.02489
  81 C3    S'        0.05751   -1.26330    0.17616    0.66978   -0.19153
  82 C3    PX'       0.73840    0.73972   -0.54868   -1.28977    0.06546
  83 C3    PY'       0.03351   -0.00110    0.70392   -0.11672   -0.62997
  84 C3    PZ'       0.39114   -0.54329   -0.28949   -0.65151   -0.04474
  85 C3    DXX      -0.04481   -0.01772    0.00062   -0.05510   -0.01824
  86 C3    DYY       0.03016    0.00467   -0.00244    0.02860    0.01243
  87 C3    DZZ      -0.05817    0.01541    0.00123   -0.05625   -0.02497
  88 C3    DXY       0.00138    0.00027    0.01553   -0.00244    0.00501
  89 C3    DXZ      -0.02148   -0.01601    0.00750    0.02326   -0.00322
  90 C3    DYZ      -0.00113    0.00001   -0.02369    0.00531    0.00793
  91 H2    S        -0.22200    0.04748   -0.03656   -0.15879    0.00120
  92 H2    S'       -0.07168    0.41510    0.01631    0.03482    0.02152
  93 *H2   S         0.22200    0.04748    0.03656    0.15879   -0.00120
  94 *H2   S'        0.07168    0.41510   -0.01631   -0.03482   -0.02152
  95 *H3   S         0.12028    0.06320    0.01267    0.25482    0.07029
  96 *H3   S'        0.06127   -0.36540    0.01978    0.01798   -0.02665
  97 H3    S        -0.12028    0.06320   -0.01267   -0.25482   -0.07029
  98 H3    S'       -0.06127   -0.36540   -0.01978   -0.01798    0.02665
  99 C7    S1       -0.00000    0.00151    0.00000   -0.00000    0.00000
 100 C7    S        -0.00000   -0.08476   -0.00000   -0.00000    0.00000
 101 C7    PX        0.00000    0.01955    0.00000    0.00000    0.00000
 102 C7    PY        0.00000   -0.00932   -0.00000    0.00000    0.00000
 103 C7    PZ       -0.25259    0.00000    0.15000    0.40970   -0.03824
 104 C7    S'        0.00000    0.59524    0.00000    0.00000   -0.00000
 105 C7    PX'      -0.00000   -0.20898   -0.00000   -0.00000    0.00000
 106 C7    PY'      -0.00000   -0.02484    0.00000   -0.00000   -0.00000
 107 C7    PZ'       0.13975   -0.00000   -0.31182   -0.62032    0.42448
 108 C7    DXX      -0.00000    0.01038   -0.00000   -0.00000    0.00000
 109 C7    DYY      -0.00000    0.00054    0.00000    0.00000   -0.00000
 110 C7    DZZ       0.00000    0.00125    0.00000    0.00000    0.00000
 111 C7    DXY      -0.00000    0.00006    0.00000    0.00000    0.00000
 112 C7    DXZ      -0.02927    0.00000   -0.00143    0.00213    0.01706
 113 C7    DYZ      -0.02422    0.00000    0.00534    0.03646    0.00447
 114 F1    S1        0.00340    0.00228    0.00520    0.00481   -0.00892
 115 F1    S        -0.02711    0.00268    0.08939   -0.01556   -0.09153
 116 F1    PX        0.00040   -0.00105   -0.05056    0.00256    0.07186
 117 F1    PY       -0.03706    0.00234   -0.01609    0.03856    0.04305
 118 F1    PZ       -0.03622    0.00255    0.01476    0.08028   -0.00050
 119 F1    S'        0.05715   -0.05509   -0.26214   -0.18828    0.31683
 120 F1    PX'      -0.00105    0.01434    0.04030    0.04967   -0.05820
 121 F1    PY'       0.00045   -0.01019   -0.01176   -0.05366    0.02030
 122 F1    PZ'      -0.01939   -0.01891   -0.00616   -0.02137    0.02444
 123 F1    DXX      -0.01265    0.00369    0.03151    0.00593   -0.02589
 124 F1    DYY       0.00385    0.00380    0.04535   -0.01309   -0.05694
 125 F1    DZZ      -0.00073   -0.00024    0.04039   -0.02439   -0.04790
 126 F1    DXY      -0.00837    0.00142   -0.00050    0.01758    0.00261
 127 F1    DXZ      -0.00610    0.00455    0.00411    0.02078   -0.00162
 128 F1    DYZ       0.01497   -0.00286   -0.01208   -0.03200    0.00622
 129 F2    S1       -0.00000   -0.00075    0.00000    0.00000    0.00000
 130 F2    S        -0.00000   -0.01062   -0.00000   -0.00000    0.00000
 131 F2    PX        0.00000    0.00193    0.00000    0.00000    0.00000
 132 F2    PY       -0.00000   -0.00845   -0.00000   -0.00000    0.00000
 133 F2    PZ        0.01801    0.00000    0.05209    0.05244   -0.06883
 134 F2    S'        0.00000   -0.00078    0.00000    0.00000    0.00000
 135 F2    PX'       0.00000   -0.00052    0.00000    0.00000   -0.00000
 136 F2    PY'      -0.00000    0.01468    0.00000    0.00000   -0.00000
 137 F2    PZ'      -0.02293    0.00000    0.01621    0.06005   -0.01946
 138 F2    DXX      -0.00000   -0.00565   -0.00000   -0.00000    0.00000
 139 F2    DYY      -0.00000   -0.01148   -0.00000   -0.00000    0.00000
 140 F2    DZZ      -0.00000   -0.00441    0.00000   -0.00000   -0.00000
 141 F2    DXY       0.00000   -0.00407    0.00000    0.00000    0.00000
 142 F2    DXZ       0.00262    0.00000    0.00749    0.00091   -0.00361
 143 F2    DYZ       0.02128   -0.00000   -0.00902   -0.02707   -0.00229
 144 F3    S1       -0.00340    0.00228   -0.00520   -0.00481    0.00892
 145 F3    S         0.02711    0.00268   -0.08939    0.01556    0.09153
 146 F3    PX       -0.00040   -0.00105    0.05056   -0.00256   -0.07186
 147 F3    PY        0.03706    0.00234    0.01609   -0.03856   -0.04305
 148 F3    PZ       -0.03622   -0.00255    0.01476    0.08028   -0.00050
 149 F3    S'       -0.05715   -0.05509    0.26214    0.18828   -0.31683
 150 F3    PX'       0.00105    0.01434   -0.04030   -0.04967    0.05820
 151 F3    PY'      -0.00045   -0.01019    0.01176    0.05366   -0.02030
 152 F3    PZ'      -0.01939    0.01891   -0.00616   -0.02137    0.02444
 153 F3    DXX       0.01265    0.00369   -0.03151   -0.00593    0.02589
 154 F3    DYY      -0.00385    0.00380   -0.04535    0.01309    0.05694
 155 F3    DZZ       0.00073   -0.00024   -0.04039    0.02439    0.04790
 156 F3    DXY       0.00837    0.00142    0.00050   -0.01758   -0.00261
 157 F3    DXZ      -0.00610   -0.00455    0.00411    0.02078   -0.00162
 158 F3    DYZ       0.01497    0.00286   -0.01208   -0.03200    0.00622
 159 Br1   S         0.00000   -0.00042    0.00000    0.00000    0.00000
 160 Br1   S         0.00000    0.00479    0.00000    0.00000    0.00000
 161 Br1   PX        0.00000   -0.00577    0.00000    0.00000    0.00000
 162 Br1   PY        0.00000   -0.00039    0.00000    0.00000    0.00000
 163 Br1   PZ        0.01921   -0.00000   -0.00614   -0.01682   -0.00103
 164 Br1   S         0.00000    0.01713   -0.00000    0.00000    0.00000
 165 Br1   PX        0.00000    0.02078   -0.00000    0.00000    0.00000
 166 Br1   PY        0.00000    0.00135   -0.00000    0.00000    0.00000
 167 Br1   PZ       -0.06703    0.00000    0.02143    0.05865    0.00358
 168 Br1   S        -0.00000   -0.03023   -0.00000   -0.00000   -0.00000
 169 Br1   PX       -0.00000   -0.11839    0.00000   -0.00000    0.00000
 170 Br1   PY        0.00000   -0.00453    0.00000    0.00000   -0.00000
 171 Br1   PZ        0.25987   -0.00000   -0.08448   -0.22823   -0.01343
 172 Br1   S        -0.00000    0.02043   -0.00000   -0.00000    0.00000
 173 Br1   PX       -0.00000    0.02839   -0.00000   -0.00000    0.00000
 174 Br1   PY       -0.00000    0.00540   -0.00000    0.00000    0.00000
 175 Br1   PZ       -0.20670    0.00000    0.09120    0.26075    0.01372
 176 Br1   DXX       0.00000    0.00810    0.00000    0.00000    0.00000
 177 Br1   DYY      -0.00000   -0.19510    0.00000    0.00000    0.00000
 178 Br1   DZZ       0.00000    0.18753   -0.00000    0.00000    0.00000
 179 Br1   DXY       0.00000   -0.00476    0.00000    0.00000   -0.00000
 180 Br1   DXZ       0.05613   -0.00000   -0.00336   -0.02054   -0.00678
 181 Br1   DYZ      -0.01122   -0.00000   -0.15175    0.04201   -0.12978
 182 Br1   DXX       0.00000   -0.01336    0.00000    0.00000    0.00000
 183 Br1   DYY      -0.00000   -0.07653    0.00000    0.00000    0.00000
 184 Br1   DZZ       0.00000    0.03607   -0.00000    0.00000    0.00000
 185 Br1   DXY       0.00000   -0.00137    0.00000    0.00000    0.00000
 186 Br1   DXZ       0.01029    0.00000    0.00011   -0.00340   -0.00155
 187 Br1   DYZ      -0.00331   -0.00000   -0.04519    0.01216   -0.03495
 188 Br1   DXX      -0.00000   -0.13420    0.00000   -0.00000   -0.00000
 189 Br1   DYY       0.00000    0.72857   -0.00000    0.00000   -0.00000
 190 Br1   DZZ      -0.00000   -0.82209    0.00000   -0.00000    0.00000
 191 Br1   DXY       0.00000    0.01926   -0.00000    0.00000    0.00000
 192 Br1   DXZ      -0.17692    0.00000    0.00450    0.06413    0.02570
 193 Br1   DYZ       0.04531    0.00000    0.61930   -0.17120    0.52791
  MO:                  91         92         93         94         95    
  Eigenvalues:       0.67861    0.71020    0.72332    0.74136    0.79291
          (ev)      18.46599   19.32541   19.68250   20.17333   21.57618

                       A'         A'         A"         A'         A'     
   1 *C1   S1        0.00121    0.00088    0.00000   -0.00244   -0.03916
   2 *C1   S        -0.00197    0.00711   -0.00000   -0.50103   -0.20972
   3 *C1   PX        0.00414    0.00871    0.00000    0.61086    0.28493
   4 *C1   PY        0.00039   -0.35408    0.00000    0.01615   -0.17396
   5 *C1   PZ       -0.00000    0.00000    0.09428   -0.00000    0.00000
   6 *C1   S'       -0.11267    0.02843   -0.00000   -0.10263   -2.08796
   7 *C1   PX'      -0.11286   -0.01959    0.00000   -0.62396   -2.59771
   8 *C1   PY'      -0.29755    0.54283   -0.00000   -0.02959    0.42011
   9 *C1   PZ'       0.00000   -0.00000   -0.22540   -0.00000    0.00000
  10 *C1   DXX      -0.00458   -0.00015    0.00000   -0.03404   -0.16127
  11 *C1   DYY       0.00154   -0.00061    0.00000    0.03093    0.07971
  12 *C1   DZZ      -0.00041    0.00155   -0.00000   -0.12730   -0.06347
  13 *C1   DXY      -0.01760    0.04669   -0.00000   -0.00166    0.02322
  14 *C1   DXZ       0.00000   -0.00000   -0.03742   -0.00000   -0.00000
  15 *C1   DYZ       0.00000    0.00000    0.00154    0.00000    0.00000
  16 *C4   S1       -0.00302   -0.00532    0.00000   -0.00063    0.01787
  17 *C4   S         0.05632   -0.08472    0.00000    0.07499    0.22482
  18 *C4   PX       -0.01703   -0.08884   -0.00000   -0.32272    0.27436
  19 *C4   PY        0.40383   -0.78607    0.00000    0.02825    0.04323
  20 *C4   PZ        0.00000   -0.00000   -0.49969    0.00000    0.00000
  21 *C4   S'       -0.04825    0.11604    0.00000   -0.40455    1.27286
  22 *C4   PX'      -0.05297    0.52166    0.00000    1.94961   -3.05924
  23 *C4   PY'      -0.66869    1.73888   -0.00000   -0.07467   -0.11144
  24 *C4   PZ'      -0.00000    0.00000    2.76201   -0.00000   -0.00000
  25 *C4   DXX       0.01290   -0.00721    0.00000   -0.03333    0.09097
  26 *C4   DYY      -0.00057    0.00595    0.00000    0.00955   -0.03790
  27 *C4   DZZ      -0.00316   -0.01714    0.00000    0.01204    0.04305
  28 *C4   DXY      -0.01534   -0.02851    0.00000    0.00303   -0.01065
  29 *C4   DXZ      -0.00000    0.00000    0.04566   -0.00000   -0.00000
  30 *C4   DYZ       0.00000   -0.00000   -0.02776    0.00000    0.00000
  31 C2    S1       -0.00242   -0.00181   -0.00798   -0.00057   -0.01438
  32 C2    S        -0.01133    0.01081    0.06245   -0.29798   -0.29128
  33 C2    PX       -0.01187    0.00883    0.00364    0.27165   -0.17915
  34 C2    PY       -0.47552   -0.01030   -0.10392   -0.00166    0.05236
  35 C2    PZ       -0.00480    0.00343    0.12549   -0.12704   -0.47271
  36 C2    S'        0.17002   -0.06900   -0.43601   -0.35574    2.87274
  37 C2    PX'       0.09932   -0.02134   -0.16642   -1.33071    1.48807
  38 C2    PY'       0.81785    0.08333    0.22131    0.01150   -0.22038
  39 C2    PZ'       0.08630   -0.03261   -0.45700    0.20285    2.54704
  40 C2    DXX       0.00153   -0.00037   -0.04584   -0.05767    0.03924
  41 C2    DYY       0.00016    0.00241    0.01422    0.01721    0.00611
  42 C2    DZZ      -0.00217   -0.00165    0.00812   -0.01835   -0.03073
  43 C2    DXY      -0.00110    0.01403   -0.00177    0.00057    0.00010
  44 C2    DXZ      -0.00491   -0.00615    0.00130   -0.03586   -0.03408
  45 C2    DYZ      -0.02436    0.02835   -0.00257   -0.00087    0.00855
  46 *C2   S1       -0.00242   -0.00181    0.00798   -0.00057   -0.01438
  47 *C2   S        -0.01133    0.01081   -0.06245   -0.29798   -0.29128
  48 *C2   PX       -0.01187    0.00883   -0.00364    0.27165   -0.17915
  49 *C2   PY       -0.47552   -0.01030    0.10392   -0.00166    0.05236
  50 *C2   PZ        0.00480   -0.00343    0.12549    0.12704    0.47271
  51 *C2   S'        0.17002   -0.06900    0.43601   -0.35574    2.87274
  52 *C2   PX'       0.09932   -0.02134    0.16642   -1.33071    1.48807
  53 *C2   PY'       0.81785    0.08333   -0.22131    0.01150   -0.22038
  54 *C2   PZ'      -0.08630    0.03261   -0.45700   -0.20285   -2.54704
  55 *C2   DXX       0.00153   -0.00037    0.04584   -0.05767    0.03924
  56 *C2   DYY       0.00016    0.00241   -0.01422    0.01721    0.00611
  57 *C2   DZZ      -0.00217   -0.00165   -0.00812   -0.01835   -0.03073
  58 *C2   DXY      -0.00110    0.01403    0.00177    0.00057    0.00010
  59 *C2   DXZ       0.00491    0.00615    0.00130    0.03586    0.03408
  60 *C2   DYZ       0.02436   -0.02835   -0.00257    0.00087   -0.00855
  61 *C3   S1        0.00286   -0.00065   -0.01441   -0.01286    0.01369
  62 *C3   S        -0.02727   -0.02616   -0.19577   -0.00346    0.07432
  63 *C3   PX       -0.01965    0.00728   -0.26428    0.10121   -0.29992
  64 *C3   PY        0.36050    0.37312   -0.17398   -0.01942   -0.01402
  65 *C3   PZ        0.03070    0.04276    0.03370    0.11278   -0.40054
  66 *C3   S'       -0.05596    0.15445   -1.41273    1.50680   -2.40510
  67 *C3   PX'       0.12963   -0.08205    0.14805   -1.13351    1.87331
  68 *C3   PY'      -0.49265   -0.96831    0.30742    0.05512    0.08443
  69 *C3   PZ'       0.02949   -0.21422    0.51763   -0.77475    2.47374
  70 *C3   DXX      -0.00510   -0.00361   -0.04718    0.03232   -0.03818
  71 *C3   DYY      -0.00302    0.00224    0.03935    0.00265    0.00304
  72 *C3   DZZ       0.00342   -0.00030   -0.09270   -0.00563   -0.00274
  73 *C3   DXY       0.02545   -0.01872   -0.00498   -0.00056    0.00354
  74 *C3   DXZ      -0.00254   -0.00491    0.03086   -0.06111    0.00119
  75 *C3   DYZ      -0.00264   -0.02594    0.01140    0.00231   -0.00489
  76 C3    S1        0.00286   -0.00065    0.01441   -0.01286    0.01369
  77 C3    S        -0.02727   -0.02616    0.19577   -0.00346    0.07432
  78 C3    PX       -0.01965    0.00728    0.26428    0.10121   -0.29992
  79 C3    PY        0.36050    0.37312    0.17398   -0.01942   -0.01402
  80 C3    PZ       -0.03070   -0.04276    0.03370   -0.11278    0.40054
  81 C3    S'       -0.05596    0.15445    1.41273    1.50680   -2.40510
  82 C3    PX'       0.12963   -0.08205   -0.14805   -1.13351    1.87331
  83 C3    PY'      -0.49265   -0.96831   -0.30742    0.05512    0.08443
  84 C3    PZ'      -0.02949    0.21422    0.51763    0.77475   -2.47374
  85 C3    DXX      -0.00510   -0.00361    0.04718    0.03232   -0.03818
  86 C3    DYY      -0.00302    0.00224   -0.03935    0.00265    0.00304
  87 C3    DZZ       0.00342   -0.00030    0.09270   -0.00563   -0.00274
  88 C3    DXY       0.02545   -0.01872    0.00498   -0.00056    0.00354
  89 C3    DXZ       0.00254    0.00491    0.03086    0.06111   -0.00119
  90 C3    DYZ       0.00264    0.02594    0.01140   -0.00231    0.00489
  91 H2    S        -0.01367   -0.01492   -0.05588   -0.17068   -0.25055
  92 H2    S'        0.06527    0.01640   -0.17774   -0.10787    1.48741
  93 *H2   S        -0.01367   -0.01492    0.05588   -0.17068   -0.25055
  94 *H2   S'        0.06527    0.01640    0.17774   -0.10787    1.48741
  95 *H3   S        -0.00340   -0.01802   -0.15153   -0.17864    0.11837
  96 *H3   S'       -0.05963    0.11327    0.06822    0.71832   -1.46349
  97 H3    S        -0.00340   -0.01802    0.15153   -0.17864    0.11837
  98 H3    S'       -0.05963    0.11327   -0.06822    0.71832   -1.46349
  99 C7    S1        0.00181    0.00369    0.00000   -0.00231   -0.00094
 100 C7    S         0.05405    0.11517    0.00000    0.14737   -0.22727
 101 C7    PX       -0.02631    0.00300   -0.00000    0.00422    0.01987
 102 C7    PY       -0.32616   -0.01935   -0.00000    0.00475    0.00398
 103 C7    PZ       -0.00000    0.00000    0.20925   -0.00000    0.00000
 104 C7    S'       -0.02970   -0.63303   -0.00000   -1.30445    1.98856
 105 C7    PX'       0.02740    0.18168    0.00000    0.39801   -0.71213
 106 C7    PY'       1.21413   -0.61421    0.00000    0.08720   -0.05763
 107 C7    PZ'       0.00000   -0.00000   -2.13403    0.00000   -0.00000
 108 C7    DXX       0.01038   -0.01024    0.00000   -0.04970    0.05741
 109 C7    DYY       0.03027   -0.00597    0.00000    0.01083   -0.02546
 110 C7    DZZ      -0.02421    0.01383    0.00000    0.00271    0.00575
 111 C7    DXY       0.01877    0.00068    0.00000   -0.00401    0.01197
 112 C7    DXZ       0.00000   -0.00000   -0.10684    0.00000    0.00000
 113 C7    DYZ       0.00000    0.00000    0.03082    0.00000    0.00000
 114 F1    S1       -0.00730    0.00135    0.02534   -0.00385    0.00256
 115 F1    S         0.01342   -0.00089   -0.08215   -0.02596   -0.01537
 116 F1    PX        0.04297   -0.00669   -0.18030    0.03002   -0.00105
 117 F1    PY       -0.11113    0.01824   -0.08831   -0.00278   -0.00771
 118 F1    PZ        0.02631   -0.00331    0.09675    0.00571    0.01307
 119 F1    S'        0.21442   -0.04268   -0.61330    0.15322   -0.10045
 120 F1    PX'      -0.06901   -0.00328    0.22612   -0.02864    0.02742
 121 F1    PY'      -0.04186    0.04212   -0.17770    0.01879   -0.01975
 122 F1    PZ'       0.09092   -0.03841   -0.18641    0.03986   -0.06035
 123 F1    DXX       0.01230   -0.00290   -0.06819   -0.01125   -0.00431
 124 F1    DYY      -0.01480   -0.00459    0.01663   -0.01535    0.00014
 125 F1    DZZ       0.01934    0.00524   -0.04328   -0.00674   -0.02037
 126 F1    DXY       0.00141   -0.01383    0.03070   -0.00328    0.00161
 127 F1    DXZ      -0.01647    0.00731    0.02782   -0.01263    0.02150
 128 F1    DYZ       0.01612    0.00533   -0.03367    0.00287   -0.00520
 129 F2    S1        0.01735   -0.00959    0.00000    0.00040    0.00263
 130 F2    S        -0.00224   -0.09092    0.00000   -0.01238    0.07233
 131 F2    PX       -0.09444    0.12118   -0.00000    0.02622   -0.06160
 132 F2    PY       -0.07269   -0.02006    0.00000    0.00839    0.00144
 133 F2    PZ       -0.00000    0.00000    0.22874   -0.00000    0.00000
 134 F2    S'       -0.49463    0.42723   -0.00000    0.06434   -0.21481
 135 F2    PX'       0.12522   -0.07440    0.00000   -0.00700    0.04548
 136 F2    PY'       0.13978   -0.08552    0.00000   -0.03341    0.04410
 137 F2    PZ'      -0.00000    0.00000    0.15315   -0.00000    0.00000
 138 F2    DXX      -0.00147   -0.00867    0.00000    0.00144    0.00596
 139 F2    DYY      -0.03208   -0.04290    0.00000    0.00170    0.03085
 140 F2    DZZ       0.03884   -0.05684    0.00000   -0.00577    0.04386
 141 F2    DXY      -0.03212    0.00620    0.00000    0.01248   -0.01739
 142 F2    DXZ       0.00000   -0.00000   -0.03542    0.00000    0.00000
 143 F2    DYZ       0.00000    0.00000    0.02035    0.00000    0.00000
 144 F3    S1       -0.00730    0.00135   -0.02534   -0.00385    0.00256
 145 F3    S         0.01342   -0.00089    0.08215   -0.02596   -0.01537
 146 F3    PX        0.04297   -0.00669    0.18030    0.03002   -0.00105
 147 F3    PY       -0.11113    0.01824    0.08831   -0.00278   -0.00771
 148 F3    PZ       -0.02631    0.00331    0.09675   -0.00571   -0.01307
 149 F3    S'        0.21442   -0.04268    0.61330    0.15322   -0.10045
 150 F3    PX'      -0.06901   -0.00328   -0.22612   -0.02864    0.02742
 151 F3    PY'      -0.04186    0.04212    0.17770    0.01879   -0.01975
 152 F3    PZ'      -0.09092    0.03841   -0.18641   -0.03986    0.06035
 153 F3    DXX       0.01230   -0.00290    0.06819   -0.01125   -0.00431
 154 F3    DYY      -0.01480   -0.00459   -0.01663   -0.01535    0.00014
 155 F3    DZZ       0.01934    0.00524    0.04328   -0.00674   -0.02037
 156 F3    DXY       0.00141   -0.01383   -0.03070   -0.00328    0.00161
 157 F3    DXZ       0.01647   -0.00731    0.02782    0.01263   -0.02150
 158 F3    DYZ      -0.01612   -0.00533   -0.03367   -0.00287    0.00520
 159 Br1   S        -0.00012   -0.00004    0.00000   -0.00211   -0.00278
 160 Br1   S        -0.00036   -0.00040    0.00000   -0.02013   -0.01611
 161 Br1   PX        0.00003   -0.00009    0.00000    0.00551   -0.00174
 162 Br1   PY        0.01397    0.00497    0.00000   -0.00034   -0.00060
 163 Br1   PZ        0.00000    0.00000    0.00161    0.00000    0.00000
 164 Br1   S         0.00134   -0.00024    0.00000   -0.01032    0.01244
 165 Br1   PX       -0.00001    0.00033    0.00000   -0.01831    0.00774
 166 Br1   PY       -0.04871   -0.01728    0.00000    0.00117    0.00208
 167 Br1   PZ        0.00000    0.00000   -0.00569   -0.00000   -0.00000
 168 Br1   S        -0.00829   -0.00580   -0.00000   -0.24931   -0.25395
 169 Br1   PX       -0.00446   -0.00263    0.00000    0.02824   -0.12622
 170 Br1   PY        0.18620    0.06904    0.00000   -0.00439   -0.00469
 171 Br1   PZ        0.00000    0.00000    0.02355    0.00000    0.00000
 172 Br1   S        -0.02979   -0.02379   -0.00000   -0.81043   -1.12421
 173 Br1   PX       -0.02079   -0.01494    0.00000   -0.47783   -0.75998
 174 Br1   PY       -0.21832   -0.21208    0.00000    0.01829   -0.06393
 175 Br1   PZ       -0.00000    0.00000   -0.00276   -0.00000   -0.00000
 176 Br1   DXX       0.00108    0.00083   -0.00000   -0.11276    0.04955
 177 Br1   DYY      -0.00176   -0.00355    0.00000   -0.01203   -0.03285
 178 Br1   DZZ       0.00046    0.00244    0.00000    0.11251   -0.02595
 179 Br1   DXY       0.04802    0.07918   -0.00000   -0.00373    0.02805
 180 Br1   DXZ       0.00000    0.00000    0.00608    0.00000    0.00000
 181 Br1   DYZ      -0.00000    0.00000   -0.01732    0.00000    0.00000
 182 Br1   DXX      -0.00026    0.00053    0.00000   -0.01353    0.01296
 183 Br1   DYY      -0.00129   -0.00103    0.00000    0.00018   -0.01713
 184 Br1   DZZ      -0.00085    0.00048    0.00000    0.03124   -0.01610
 185 Br1   DXY       0.01021    0.02316    0.00000   -0.00121    0.00830
 186 Br1   DXZ       0.00000    0.00000    0.00004    0.00000    0.00000
 187 Br1   DYZ       0.00000    0.00000   -0.00403    0.00000    0.00000
 188 Br1   DXX      -0.01215   -0.00709    0.00000    0.38951   -0.38516
 189 Br1   DYY       0.00406    0.01555    0.00000    0.08604    0.12312
 190 Br1   DZZ      -0.00414   -0.00925   -0.00000   -0.43428    0.09767
 191 Br1   DXY      -0.17934   -0.35455    0.00000    0.01839   -0.13348
 192 Br1   DXZ       0.00000   -0.00000   -0.01294   -0.00000   -0.00000
 193 Br1   DYZ       0.00000    0.00000    0.06972    0.00000    0.00000
  MO:                  96         97         98         99        100    
  Eigenvalues:       0.80654    0.81106    0.82592    0.84248    0.86627
          (ev)      21.94698   22.07010   22.47453   22.92507   23.57241

                       A'         A"         A"         A'         A"     
   1 *C1   S1        0.01143    0.00000   -0.00000    0.02234    0.00000
   2 *C1   S        -0.00206    0.00000   -0.00000   -0.16792    0.00000
   3 *C1   PX       -0.05448   -0.00000    0.00000    0.18254    0.00000
   4 *C1   PY       -0.70507   -0.00000   -0.00000    0.05222   -0.00000
   5 *C1   PZ        0.00000   -0.07557   -0.07416   -0.00000   -0.19700
   6 *C1   S'        0.58779    0.00000   -0.00000    0.25390   -0.00000
   7 *C1   PX'       0.73960    0.00000   -0.00000    0.92885   -0.00000
   8 *C1   PY'       1.68188    0.00000    0.00000   -0.17127    0.00000
   9 *C1   PZ'      -0.00000    0.26861    0.25118    0.00000    0.78837
  10 *C1   DXX       0.04425    0.00000   -0.00000    0.06761    0.00000
  11 *C1   DYY      -0.02487   -0.00000    0.00000   -0.04634    0.00000
  12 *C1   DZZ       0.01022    0.00000   -0.00000   -0.01449    0.00000
  13 *C1   DXY       0.08139    0.00000    0.00000   -0.01023    0.00000
  14 *C1   DXZ       0.00000   -0.08812    0.04102   -0.00000    0.02885
  15 *C1   DYZ       0.00000    0.00110   -0.00024    0.00000   -0.00113
  16 *C4   S1        0.00038    0.00000    0.00000    0.00557    0.00000
  17 *C4   S         0.05127   -0.00000    0.00000   -0.00172   -0.00000
  18 *C4   PX       -0.01331   -0.00000    0.00000    0.22753    0.00000
  19 *C4   PY        0.41422    0.00000    0.00000   -0.06488    0.00000
  20 *C4   PZ       -0.00000    0.10293    0.00566    0.00000   -0.03366
  21 *C4   S'       -0.60484   -0.00000    0.00000    0.57608    0.00000
  22 *C4   PX'       0.15633    0.00000   -0.00000   -3.14020    0.00000
  23 *C4   PY'      -1.13543   -0.00000   -0.00000    0.17706   -0.00000
  24 *C4   PZ'       0.00000   -0.48440    0.30610   -0.00000    0.35812
  25 *C4   DXX      -0.01753   -0.00000    0.00000   -0.00872   -0.00000
  26 *C4   DYY       0.00485    0.00000   -0.00000   -0.02189    0.00000
  27 *C4   DZZ       0.00575   -0.00000    0.00000    0.04398   -0.00000
  28 *C4   DXY      -0.00153    0.00000    0.00000    0.00047    0.00000
  29 *C4   DXZ       0.00000   -0.05422   -0.03614    0.00000   -0.00222
  30 *C4   DYZ       0.00000    0.00187    0.00093    0.00000   -0.00202
  31 C2    S1        0.00549    0.03323   -0.01253    0.01306    0.01058
  32 C2    S         0.02701    0.06492   -0.05102   -0.15450   -0.70644
  33 C2    PX        0.04921    0.14659    0.20011    0.08741    0.50720
  34 C2    PY        0.21071    0.00356    0.00082   -0.03652   -0.00525
  35 C2    PZ        0.14515    0.50715   -0.24641    0.28025    0.20899
  36 C2    S'       -0.57220   -0.71655   -0.30646    0.60251    1.40492
  37 C2    PX'      -0.39048   -1.13513   -0.68670   -0.20576   -1.56327
  38 C2    PY'      -0.96357   -0.00162   -0.00314    0.14180    0.01811
  39 C2    PZ'      -0.69978   -1.66276    0.25187   -0.65441   -0.63987
  40 C2    DXX      -0.01083   -0.04447   -0.01408   -0.00131   -0.06591
  41 C2    DYY      -0.00676   -0.04009    0.04294   -0.04943   -0.02181
  42 C2    DZZ       0.00706    0.08620   -0.07047    0.02705   -0.02759
  43 C2    DXY       0.00558    0.00035    0.00051   -0.00323    0.00006
  44 C2    DXZ       0.01661    0.04345   -0.08298    0.07735    0.02003
  45 C2    DYZ       0.03178   -0.00004    0.00068   -0.00618   -0.00013
  46 *C2   S1        0.00549   -0.03323    0.01253    0.01306   -0.01058
  47 *C2   S         0.02701   -0.06492    0.05102   -0.15450    0.70644
  48 *C2   PX        0.04921   -0.14659   -0.20011    0.08741   -0.50720
  49 *C2   PY        0.21071   -0.00356   -0.00082   -0.03652    0.00525
  50 *C2   PZ       -0.14515    0.50715   -0.24641   -0.28025    0.20899
  51 *C2   S'       -0.57220    0.71655    0.30646    0.60251   -1.40492
  52 *C2   PX'      -0.39048    1.13513    0.68670   -0.20576    1.56327
  53 *C2   PY'      -0.96357    0.00162    0.00314    0.14180   -0.01811
  54 *C2   PZ'       0.69978   -1.66276    0.25187    0.65441   -0.63987
  55 *C2   DXX      -0.01083    0.04447    0.01408   -0.00131    0.06591
  56 *C2   DYY      -0.00676    0.04009   -0.04294   -0.04943    0.02181
  57 *C2   DZZ       0.00706   -0.08620    0.07047    0.02705    0.02759
  58 *C2   DXY       0.00558   -0.00035   -0.00051   -0.00323   -0.00006
  59 *C2   DXZ      -0.01661    0.04345   -0.08298   -0.07735    0.02003
  60 *C2   DYZ      -0.03178   -0.00004    0.00068    0.00618   -0.00013
  61 *C3   S1       -0.00242    0.02800    0.01960    0.00738   -0.00889
  62 *C3   S        -0.00611   -0.03727   -0.26613   -0.07910    0.36667
  63 *C3   PX        0.04749   -0.21815   -0.29784   -0.20995    0.02878
  64 *C3   PY       -0.13407    0.01305    0.01732    0.05642   -0.00776
  65 *C3   PZ        0.05959   -0.37265   -0.41819   -0.44994    0.19137
  66 *C3   S'        0.48796   -0.45519    0.02491   -0.53439   -1.53662
  67 *C3   PX'      -0.32550    1.33988    0.75334    0.72900    0.09363
  68 *C3   PY'       0.73997   -0.03597   -0.03476   -0.16684    0.01232
  69 *C3   PZ'      -0.39426    1.34674    1.31508    1.82669   -0.20114
  70 *C3   DXX       0.01175   -0.03480   -0.06399   -0.00074   -0.00714
  71 *C3   DYY      -0.00562   -0.02349   -0.04010   -0.03232    0.03132
  72 *C3   DZZ       0.00347    0.03784    0.05649   -0.00307    0.00629
  73 *C3   DXY       0.01190    0.00014   -0.00011    0.00272   -0.00011
  74 *C3   DXZ       0.00229    0.00341    0.08210    0.05417   -0.03277
  75 *C3   DYZ      -0.00613   -0.00098   -0.00199   -0.00038    0.00133
  76 C3    S1       -0.00242   -0.02800   -0.01960    0.00738    0.00889
  77 C3    S        -0.00611    0.03727    0.26613   -0.07910   -0.36667
  78 C3    PX        0.04749    0.21815    0.29784   -0.20995   -0.02878
  79 C3    PY       -0.13407   -0.01305   -0.01732    0.05642    0.00776
  80 C3    PZ       -0.05959   -0.37265   -0.41819    0.44994    0.19137
  81 C3    S'        0.48796    0.45519   -0.02491   -0.53439    1.53662
  82 C3    PX'      -0.32550   -1.33988   -0.75334    0.72900   -0.09363
  83 C3    PY'       0.73997    0.03597    0.03476   -0.16684   -0.01232
  84 C3    PZ'       0.39426    1.34674    1.31508   -1.82669   -0.20114
  85 C3    DXX       0.01175    0.03480    0.06399   -0.00074    0.00714
  86 C3    DYY      -0.00562    0.02349    0.04010   -0.03232   -0.03132
  87 C3    DZZ       0.00347   -0.03784   -0.05649   -0.00307   -0.00629
  88 C3    DXY       0.01190   -0.00014    0.00011    0.00272    0.00011
  89 C3    DXZ      -0.00229    0.00341    0.08210   -0.05417   -0.03277
  90 C3    DYZ       0.00613   -0.00098   -0.00199    0.00038    0.00133
  91 H2    S         0.08084    0.42569   -0.27502    0.21957    0.12064
  92 H2    S'       -0.47372   -1.52370    0.37230   -0.91368   -1.23225
  93 *H2   S         0.08084   -0.42569    0.27502    0.21957   -0.12064
  94 *H2   S'       -0.47372    1.52370   -0.37230   -0.91368    1.23225
  95 *H3   S        -0.01853    0.27956    0.32177    0.21452   -0.16205
  96 *H3   S'        0.21122   -1.23670   -1.39503   -1.35056    0.50233
  97 H3    S        -0.01853   -0.27956   -0.32177    0.21452    0.16205
  98 H3    S'        0.21122    1.23670    1.39503   -1.35056   -0.50233
  99 C7    S1       -0.00785    0.00000    0.00000   -0.03502    0.00000
 100 C7    S        -0.09122    0.00000   -0.00000   -0.62465    0.00000
 101 C7    PX        0.00733   -0.00000    0.00000    0.10607   -0.00000
 102 C7    PY        0.01208    0.00000    0.00000    0.00404    0.00000
 103 C7    PZ        0.00000   -0.02067   -0.15042    0.00000    0.02828
 104 C7    S'        0.29377   -0.00000    0.00000    3.15661   -0.00000
 105 C7    PX'      -0.11825    0.00000   -0.00000   -1.21217    0.00000
 106 C7    PY'       0.43597    0.00000   -0.00000   -0.12282    0.00000
 107 C7    PZ'      -0.00000    0.07966    0.12184    0.00000   -0.14644
 108 C7    DXX      -0.01137   -0.00000    0.00000    0.00468   -0.00000
 109 C7    DYY       0.00765    0.00000    0.00000    0.00442    0.00000
 110 C7    DZZ      -0.00601    0.00000    0.00000   -0.00169   -0.00000
 111 C7    DXY       0.01919    0.00000    0.00000    0.00498    0.00000
 112 C7    DXZ       0.00000   -0.00922   -0.04433    0.00000    0.01440
 113 C7    DYZ       0.00000    0.01107    0.00872    0.00000   -0.00620
 114 F1    S1        0.00000   -0.00157   -0.00168    0.00773    0.00149
 115 F1    S         0.02526   -0.01671   -0.04507   -0.02726    0.04313
 116 F1    PX        0.01591   -0.00953   -0.02617   -0.01680   -0.00489
 117 F1    PY       -0.03945    0.00926   -0.01066    0.04793   -0.00285
 118 F1    PZ        0.01288    0.01714    0.02855   -0.01697   -0.02566
 119 F1    S'       -0.00720    0.05098    0.11047   -0.21848   -0.10782
 120 F1    PX'       0.00229    0.00850    0.01546    0.10879   -0.00416
 121 F1    PY'      -0.00448   -0.00535   -0.00410   -0.08039   -0.00426
 122 F1    PZ'       0.02676   -0.01984   -0.05654   -0.08882    0.02465
 123 F1    DXX       0.01306   -0.01655   -0.04359   -0.01812    0.02169
 124 F1    DYY       0.02136   -0.01255   -0.02111    0.01313    0.02059
 125 F1    DZZ       0.00263   -0.00274   -0.00515   -0.02377    0.01381
 126 F1    DXY       0.00833    0.00246   -0.00051    0.00788    0.00105
 127 F1    DXZ      -0.01261   -0.00125    0.00199    0.01272   -0.00421
 128 F1    DYZ      -0.00065   -0.00088    0.00831   -0.02913    0.00061
 129 F2    S1        0.00602    0.00000    0.00000    0.00086    0.00000
 130 F2    S        -0.00338   -0.00000    0.00000   -0.15185   -0.00000
 131 F2    PX       -0.09073   -0.00000   -0.00000    0.02498    0.00000
 132 F2    PY        0.00821    0.00000    0.00000   -0.07735    0.00000
 133 F2    PZ        0.00000   -0.01406   -0.02715   -0.00000    0.00955
 134 F2    S'       -0.18853    0.00000   -0.00000    0.05608    0.00000
 135 F2    PX'       0.08757    0.00000    0.00000    0.07692   -0.00000
 136 F2    PY'       0.06868   -0.00000    0.00000    0.16317    0.00000
 137 F2    PZ'       0.00000    0.00167    0.00654    0.00000    0.00917
 138 F2    DXX      -0.02675    0.00000    0.00000   -0.07087   -0.00000
 139 F2    DYY      -0.00102    0.00000    0.00000   -0.09921   -0.00000
 140 F2    DZZ       0.02055    0.00000    0.00000   -0.03805   -0.00000
 141 F2    DXY      -0.00610    0.00000    0.00000   -0.02148    0.00000
 142 F2    DXZ       0.00000   -0.00098   -0.01033    0.00000   -0.00127
 143 F2    DYZ       0.00000   -0.00245    0.01032    0.00000   -0.00077
 144 F3    S1        0.00000    0.00157    0.00168    0.00773   -0.00149
 145 F3    S         0.02526    0.01671    0.04507   -0.02726   -0.04313
 146 F3    PX        0.01591    0.00953    0.02617   -0.01680    0.00489
 147 F3    PY       -0.03945   -0.00926    0.01066    0.04793    0.00285
 148 F3    PZ       -0.01288    0.01714    0.02855    0.01697   -0.02566
 149 F3    S'       -0.00720   -0.05098   -0.11047   -0.21848    0.10782
 150 F3    PX'       0.00229   -0.00850   -0.01546    0.10879    0.00416
 151 F3    PY'      -0.00448    0.00535    0.00410   -0.08039    0.00426
 152 F3    PZ'      -0.02676   -0.01984   -0.05654    0.08882    0.02465
 153 F3    DXX       0.01306    0.01655    0.04359   -0.01812   -0.02169
 154 F3    DYY       0.02136    0.01255    0.02111    0.01313   -0.02059
 155 F3    DZZ       0.00263    0.00274    0.00515   -0.02377   -0.01381
 156 F3    DXY       0.00833   -0.00246    0.00051    0.00788   -0.00105
 157 F3    DXZ       0.01261   -0.00125    0.00199   -0.01272   -0.00421
 158 F3    DYZ       0.00065   -0.00088    0.00831    0.02913    0.00061
 159 Br1   S         0.00062    0.00000    0.00000    0.00047    0.00000
 160 Br1   S         0.00445    0.00000    0.00000    0.01345    0.00000
 161 Br1   PX        0.00104    0.00000    0.00000    0.00223    0.00000
 162 Br1   PY       -0.00324    0.00000    0.00000    0.00105    0.00000
 163 Br1   PZ        0.00000    0.00962   -0.01067    0.00000   -0.00304
 164 Br1   S        -0.00086   -0.00000    0.00000    0.02291    0.00000
 165 Br1   PX       -0.00401   -0.00000    0.00000   -0.00771    0.00000
 166 Br1   PY        0.01134    0.00000    0.00000   -0.00368    0.00000
 167 Br1   PZ        0.00000   -0.03376    0.03775    0.00000    0.01140
 168 Br1   S         0.06297    0.00000   -0.00000    0.11270    0.00000
 169 Br1   PX        0.03707    0.00000   -0.00000    0.01998   -0.00000
 170 Br1   PY       -0.03315   -0.00000    0.00000    0.01355    0.00000
 171 Br1   PZ       -0.00000    0.14010   -0.17376    0.00000   -0.08567
 172 Br1   S         0.32977    0.00000   -0.00000    0.82023    0.00000
 173 Br1   PX        0.21901    0.00000   -0.00000    0.57659    0.00000
 174 Br1   PY       -0.29442   -0.00000    0.00000    0.00587   -0.00000
 175 Br1   PZ        0.00000   -0.26806    0.35481   -0.00000    0.22066
 176 Br1   DXX      -0.02347   -0.00000    0.00000   -0.12311   -0.00000
 177 Br1   DYY       0.01425    0.00000    0.00000    0.07824    0.00000
 178 Br1   DZZ       0.01172    0.00000    0.00000    0.05185    0.00000
 179 Br1   DXY       0.11859    0.00000    0.00000   -0.00545    0.00000
 180 Br1   DXZ      -0.00000    0.06475   -0.10658    0.00000   -0.12017
 181 Br1   DYZ       0.00000   -0.00027    0.00168    0.00000    0.00094
 182 Br1   DXX      -0.00709    0.00000    0.00000   -0.04628   -0.00000
 183 Br1   DYY       0.00397    0.00000    0.00000    0.00094    0.00000
 184 Br1   DZZ       0.00381    0.00000    0.00000   -0.00342    0.00000
 185 Br1   DXY       0.03497    0.00000    0.00000   -0.00195    0.00000
 186 Br1   DXZ       0.00000    0.01353   -0.02065    0.00000   -0.01962
 187 Br1   DYZ       0.00000   -0.00006    0.00032    0.00000    0.00016
 188 Br1   DXX       0.13723    0.00000   -0.00000    0.51407    0.00000
 189 Br1   DYY      -0.06069   -0.00000   -0.00000   -0.39489   -0.00000
 190 Br1   DZZ      -0.05302    0.00000    0.00000   -0.29143   -0.00000
 191 Br1   DXY      -0.57232   -0.00000   -0.00000    0.02966   -0.00000
 192 Br1   DXZ       0.00000   -0.26728    0.43056   -0.00000    0.46998
 193 Br1   DYZ       0.00000    0.00117   -0.00674    0.00000   -0.00374
  MO:                 101        102        103        104        105    
  Eigenvalues:       0.87569    0.90676    0.96192    0.96647    0.99502
          (ev)      23.82876   24.67409   26.17528   26.29897   27.07582

                       A'         A'         A'         A"         A"     
   1 *C1   S1       -0.03672    0.06185   -0.00366    0.00000    0.00000
   2 *C1   S        -0.72304    0.15801   -0.30253    0.00000    0.00000
   3 *C1   PX       -0.15684    0.17271   -0.13364    0.00000    0.00000
   4 *C1   PY        0.03239    0.01731   -0.01022   -0.00000   -0.00000
   5 *C1   PZ       -0.00000    0.00000   -0.00000    0.20616   -0.50116
   6 *C1   S'        3.56656   -0.74761    0.55945   -0.00000    0.00000
   7 *C1   PX'       0.86539   -0.25393    0.25230   -0.00000    0.00000
   8 *C1   PY'      -0.09079   -0.04277    0.00726    0.00000    0.00000
   9 *C1   PZ'       0.00000   -0.00000   -0.00000   -2.91254    3.27871
  10 *C1   DXX      -0.09550    0.06232   -0.01754    0.00000    0.00000
  11 *C1   DYY       0.02045   -0.06220   -0.00037    0.00000    0.00000
  12 *C1   DZZ      -0.01600    0.05495   -0.01358    0.00000    0.00000
  13 *C1   DXY      -0.00122   -0.00123   -0.00435    0.00000    0.00000
  14 *C1   DXZ       0.00000    0.00000    0.00000   -0.01754    0.06170
  15 *C1   DYZ       0.00000    0.00000    0.00000    0.00536   -0.00465
  16 *C4   S1        0.02185    0.02353    0.01573   -0.00000    0.00000
  17 *C4   S         0.91300    0.61346   -0.00755   -0.00000   -0.00000
  18 *C4   PX        0.02689    0.14812    0.14062   -0.00000   -0.00000
  19 *C4   PY       -0.06187   -0.05538    0.04568    0.00000    0.00000
  20 *C4   PZ       -0.00000   -0.00000   -0.00000   -0.57591   -0.41735
  21 *C4   S'       -4.24661   -2.38972    0.32357    0.00000    0.00000
  22 *C4   PX'      -0.59161   -0.90264   -1.30107    0.00000    0.00000
  23 *C4   PY'       0.14173    0.13187   -0.14065   -0.00000    0.00000
  24 *C4   PZ'       0.00000    0.00000    0.00000    4.96552    1.65466
  25 *C4   DXX       0.07085    0.08235   -0.08194    0.00000    0.00000
  26 *C4   DYY       0.00397   -0.01006   -0.02172    0.00000    0.00000
  27 *C4   DZZ       0.02918    0.01008    0.09827   -0.00000   -0.00000
  28 *C4   DXY      -0.01501   -0.01828    0.02784    0.00000    0.00000
  29 *C4   DXZ       0.00000    0.00000   -0.00000   -0.07099   -0.06152
  30 *C4   DYZ       0.00000    0.00000    0.00000    0.01525   -0.01092
  31 C2    S1        0.00215   -0.00618    0.00897   -0.01425   -0.01180
  32 C2    S        -0.56857    0.18190    0.20667   -0.60471   -0.28306
  33 C2    PX       -0.00385   -0.42291   -0.16247   -0.27849    0.01920
  34 C2    PY       -0.00297    0.00923   -0.01857    0.01620   -0.00627
  35 C2    PZ        0.37909   -0.11013   -0.17540    0.20260   -0.31965
  36 C2    S'        0.90273    0.91579   -1.07008    2.05945    1.30682
  37 C2    PX'       0.41863    1.63795    0.05506    3.19233   -1.30610
  38 C2    PY'       0.03928   -0.00131    0.03447   -0.07598    0.03542
  39 C2    PZ'      -1.90369    0.17925    0.32594   -2.03042    1.86500
  40 C2    DXX      -0.01052    0.03543    0.01670    0.00974   -0.09488
  41 C2    DYY       0.00287   -0.01461    0.00829    0.00583    0.03664
  42 C2    DZZ      -0.09767    0.02264    0.00338   -0.09801    0.02779
  43 C2    DXY      -0.00140   -0.00149   -0.00285    0.00507   -0.00210
  44 C2    DXZ       0.00949   -0.02770    0.02012   -0.00719   -0.05287
  45 C2    DYZ      -0.00029    0.00249   -0.00797   -0.00105    0.00209
  46 *C2   S1        0.00215   -0.00618    0.00897    0.01425    0.01180
  47 *C2   S        -0.56857    0.18190    0.20667    0.60471    0.28306
  48 *C2   PX       -0.00385   -0.42291   -0.16247    0.27849   -0.01920
  49 *C2   PY       -0.00297    0.00923   -0.01857   -0.01620    0.00627
  50 *C2   PZ       -0.37909    0.11013    0.17540    0.20260   -0.31965
  51 *C2   S'        0.90273    0.91579   -1.07008   -2.05945   -1.30682
  52 *C2   PX'       0.41863    1.63795    0.05506   -3.19233    1.30610
  53 *C2   PY'       0.03928   -0.00131    0.03447    0.07598   -0.03542
  54 *C2   PZ'       1.90369   -0.17925   -0.32594   -2.03042    1.86500
  55 *C2   DXX      -0.01052    0.03543    0.01670   -0.00974    0.09488
  56 *C2   DYY       0.00287   -0.01461    0.00829   -0.00583   -0.03664
  57 *C2   DZZ      -0.09767    0.02264    0.00338    0.09801   -0.02779
  58 *C2   DXY      -0.00140   -0.00149   -0.00285   -0.00507    0.00210
  59 *C2   DXZ      -0.00949    0.02770   -0.02012   -0.00719   -0.05287
  60 *C2   DYZ       0.00029   -0.00249    0.00797   -0.00105    0.00209
  61 *C3   S1        0.00346   -0.00357    0.01013   -0.00163    0.02647
  62 *C3   S         0.28673    0.14848    0.65391   -0.10498    0.91399
  63 *C3   PX       -0.17509   -0.09285    0.24209    0.35400   -0.03216
  64 *C3   PY        0.00833   -0.00730    0.03019    0.03204   -0.01318
  65 *C3   PZ        0.26046    0.22687    0.04814   -0.29712   -0.17016
  66 *C3   S'       -0.33563   -1.22461   -1.49578   -0.01564   -3.10947
  67 *C3   PX'       1.04817    1.31984   -0.92357   -3.89379    0.34483
  68 *C3   PY'      -0.07554   -0.04729   -0.00102   -0.02895    0.02719
  69 *C3   PZ'      -1.30706   -0.41344    0.42178    2.63759    0.34729
  70 *C3   DXX       0.00847   -0.04094    0.06730    0.06797    0.08638
  71 *C3   DYY      -0.01825    0.01116   -0.00721   -0.00788   -0.04111
  72 *C3   DZZ       0.07487    0.03363    0.04131   -0.08254    0.07160
  73 *C3   DXY       0.00006   -0.00000    0.00581    0.00394   -0.00590
  74 *C3   DXZ      -0.00266   -0.03348   -0.00715    0.03854    0.06958
  75 *C3   DYZ      -0.00513   -0.00591    0.01277   -0.00598    0.00338
  76 C3    S1        0.00346   -0.00357    0.01013    0.00163   -0.02647
  77 C3    S         0.28673    0.14848    0.65391    0.10498   -0.91399
  78 C3    PX       -0.17509   -0.09285    0.24209   -0.35400    0.03216
  79 C3    PY        0.00833   -0.00730    0.03019   -0.03204    0.01318
  80 C3    PZ       -0.26046   -0.22687   -0.04814   -0.29712   -0.17016
  81 C3    S'       -0.33563   -1.22461   -1.49578    0.01564    3.10947
  82 C3    PX'       1.04817    1.31984   -0.92357    3.89379   -0.34483
  83 C3    PY'      -0.07554   -0.04729   -0.00102    0.02895   -0.02719
  84 C3    PZ'       1.30706    0.41344   -0.42178    2.63759    0.34729
  85 C3    DXX       0.00847   -0.04094    0.06730   -0.06797   -0.08638
  86 C3    DYY      -0.01825    0.01116   -0.00721    0.00788    0.04111
  87 C3    DZZ       0.07487    0.03363    0.04131    0.08254   -0.07160
  88 C3    DXY       0.00006   -0.00000    0.00581   -0.00394    0.00590
  89 C3    DXZ       0.00266    0.03348    0.00715    0.03854    0.06958
  90 C3    DYZ       0.00513    0.00591   -0.01277   -0.00598    0.00338
  91 H2    S         0.05983   -0.15797   -0.06136   -0.06196    0.15064
  92 H2    S'       -0.98573    0.54956    0.40574   -0.37650    0.43965
  93 *H2   S         0.05983   -0.15797   -0.06136    0.06196   -0.15064
  94 *H2   S'       -0.98573    0.54956    0.40574    0.37650   -0.43965
  95 *H3   S        -0.02725   -0.16734   -0.04725   -0.09931    0.00876
  96 *H3   S'        0.31605    0.10704    0.44324   -0.19891    0.07602
  97 H3    S        -0.02725   -0.16734   -0.04725    0.09931   -0.00876
  98 H3    S'        0.31605    0.10704    0.44324    0.19891   -0.07602
  99 C7    S1       -0.00856    0.00710   -0.04422    0.00000    0.00000
 100 C7    S        -0.26579    0.02062   -0.86656    0.00000    0.00000
 101 C7    PX        0.06888   -0.03969    0.40760   -0.00000   -0.00000
 102 C7    PY       -0.02164   -0.03495    0.06266    0.00000   -0.00000
 103 C7    PZ       -0.00000   -0.00000   -0.00000   -0.30079   -0.04465
 104 C7    S'        1.74279    0.95005    2.64539   -0.00000   -0.00000
 105 C7    PX'      -0.84432   -0.42569   -1.41117    0.00000    0.00000
 106 C7    PY'      -0.13294   -0.11630    0.05429    0.00000    0.00000
 107 C7    PZ'      -0.00000    0.00000   -0.00000    0.11186   -0.30087
 108 C7    DXX       0.05212    0.07718   -0.08738    0.00000    0.00000
 109 C7    DYY      -0.03022   -0.04983    0.10553   -0.00000   -0.00000
 110 C7    DZZ       0.04192    0.04574   -0.02412    0.00000    0.00000
 111 C7    DXY      -0.00250   -0.00135   -0.01178    0.00000    0.00000
 112 C7    DXZ       0.00000    0.00000   -0.00000    0.00835   -0.01212
 113 C7    DYZ       0.00000    0.00000    0.00000    0.02952   -0.00588
 114 F1    S1       -0.00104   -0.00399    0.00171   -0.00894   -0.00038
 115 F1    S        -0.16048   -0.13938   -0.10778   -0.09970    0.01770
 116 F1    PX        0.02098    0.01345    0.01346    0.04520   -0.09377
 117 F1    PY       -0.01407   -0.04095    0.13727    0.01914   -0.04392
 118 F1    PZ        0.12182    0.12275    0.01858    0.05534   -0.01082
 119 F1    S'        0.13911    0.18879    0.01013    0.30034   -0.07900
 120 F1    PX'       0.07966    0.02331    0.14942   -0.10783    0.05970
 121 F1    PY'      -0.01577    0.01818   -0.15790   -0.01718    0.01336
 122 F1    PZ'      -0.16375   -0.14379   -0.07790   -0.07498   -0.00841
 123 F1    DXX      -0.08749   -0.06924   -0.10044   -0.06096   -0.02155
 124 F1    DYY      -0.05724   -0.06109   -0.00813   -0.07788    0.01918
 125 F1    DZZ      -0.07968   -0.07115   -0.03347   -0.01214    0.00889
 126 F1    DXY      -0.00794   -0.01222    0.01861   -0.01378    0.00824
 127 F1    DXZ       0.03153    0.03189   -0.01477    0.00514   -0.00236
 128 F1    DYZ      -0.01461    0.00261   -0.06349    0.02359    0.01007
 129 F2    S1        0.00646    0.00815   -0.01136    0.00000    0.00000
 130 F2    S         0.15326    0.28291   -0.58015    0.00000    0.00000
 131 F2    PX       -0.04898   -0.07873    0.13048   -0.00000   -0.00000
 132 F2    PY        0.01198    0.06856   -0.26787    0.00000    0.00000
 133 F2    PZ        0.00000    0.00000   -0.00000   -0.17082    0.05003
 134 F2    S'       -0.33886   -0.49232    0.77928   -0.00000   -0.00000
 135 F2    PX'       0.08768    0.04863    0.10151   -0.00000   -0.00000
 136 F2    PY'       0.01112   -0.07838    0.40085   -0.00000   -0.00000
 137 F2    PZ'       0.00000    0.00000    0.00000    0.10034   -0.02080
 138 F2    DXX       0.02307    0.07950   -0.24508    0.00000    0.00000
 139 F2    DYY       0.07305    0.14653   -0.31684    0.00000    0.00000
 140 F2    DZZ       0.10122    0.14167   -0.20358    0.00000    0.00000
 141 F2    DXY      -0.01054   -0.00631   -0.00473    0.00000    0.00000
 142 F2    DXZ       0.00000    0.00000   -0.00000   -0.03109   -0.02847
 143 F2    DYZ       0.00000    0.00000    0.00000   -0.00524    0.02096
 144 F3    S1       -0.00104   -0.00399    0.00171    0.00894    0.00038
 145 F3    S        -0.16048   -0.13938   -0.10778    0.09970   -0.01770
 146 F3    PX        0.02098    0.01345    0.01346   -0.04520    0.09377
 147 F3    PY       -0.01407   -0.04095    0.13727   -0.01914    0.04392
 148 F3    PZ       -0.12182   -0.12275   -0.01858    0.05534   -0.01082
 149 F3    S'        0.13911    0.18879    0.01013   -0.30034    0.07900
 150 F3    PX'       0.07966    0.02331    0.14942    0.10783   -0.05970
 151 F3    PY'      -0.01577    0.01818   -0.15790    0.01718   -0.01336
 152 F3    PZ'       0.16375    0.14379    0.07790   -0.07498   -0.00841
 153 F3    DXX      -0.08749   -0.06924   -0.10044    0.06096    0.02155
 154 F3    DYY      -0.05724   -0.06109   -0.00813    0.07788   -0.01918
 155 F3    DZZ      -0.07968   -0.07115   -0.03347    0.01214   -0.00889
 156 F3    DXY      -0.00794   -0.01222    0.01861    0.01378   -0.00824
 157 F3    DXZ      -0.03153   -0.03189    0.01477    0.00514   -0.00236
 158 F3    DYZ       0.01461   -0.00261    0.06349    0.02359    0.01007
 159 Br1   S        -0.00130    0.00008   -0.00032    0.00000    0.00000
 160 Br1   S        -0.01460    0.03015   -0.00125    0.00000    0.00000
 161 Br1   PX        0.00797   -0.00944   -0.00014    0.00000    0.00000
 162 Br1   PY        0.00011   -0.00001    0.00056    0.00000    0.00000
 163 Br1   PZ        0.00000    0.00000    0.00000    0.01258   -0.01433
 164 Br1   S        -0.01001    0.06732    0.00213    0.00000    0.00000
 165 Br1   PX       -0.02770    0.03440    0.00064    0.00000    0.00000
 166 Br1   PY       -0.00038    0.00004   -0.00197    0.00000    0.00000
 167 Br1   PZ        0.00000    0.00000    0.00000   -0.04467    0.05043
 168 Br1   S        -0.15761    0.15565   -0.04195    0.00000    0.00000
 169 Br1   PX        0.11871   -0.23140   -0.00299    0.00000    0.00000
 170 Br1   PY        0.00069    0.00025    0.00830    0.00000    0.00000
 171 Br1   PZ        0.00000    0.00000    0.00000    0.20949   -0.20419
 172 Br1   S        -0.40428    1.17335    0.03004   -0.00000    0.00000
 173 Br1   PX       -0.41954    0.89985    0.02108   -0.00000    0.00000
 174 Br1   PY        0.01822    0.00406   -0.01652   -0.00000   -0.00000
 175 Br1   PZ        0.00000    0.00000   -0.00000   -0.15082   -0.11634
 176 Br1   DXX       0.06072   -0.14887   -0.00387    0.00000    0.00000
 177 Br1   DYY      -0.01313    0.10887    0.00533    0.00000    0.00000
 178 Br1   DZZ      -0.05485    0.05365   -0.00295    0.00000    0.00000
 179 Br1   DXY      -0.00608   -0.00072    0.00322    0.00000    0.00000
 180 Br1   DXZ      -0.00000    0.00000    0.00000    0.00894    0.06859
 181 Br1   DYZ       0.00000    0.00000    0.00000    0.00122   -0.00119
 182 Br1   DXX       0.02450   -0.08306   -0.00352    0.00000    0.00000
 183 Br1   DYY       0.00607   -0.03396   -0.00360    0.00000    0.00000
 184 Br1   DZZ      -0.00176   -0.04460   -0.00472    0.00000    0.00000
 185 Br1   DXY      -0.00160   -0.00027    0.00043    0.00000    0.00000
 186 Br1   DXZ       0.00000    0.00000    0.00000   -0.00626    0.02107
 187 Br1   DYZ       0.00000    0.00000    0.00000    0.00018   -0.00023
 188 Br1   DXX      -0.27548    0.44522   -0.01102    0.00000    0.00000
 189 Br1   DYY       0.08813   -0.65940   -0.03716    0.00000    0.00000
 190 Br1   DZZ       0.26166   -0.42438   -0.00416    0.00000    0.00000
 191 Br1   DXY       0.02943    0.00431   -0.01300   -0.00000    0.00000
 192 Br1   DXZ       0.00000    0.00000   -0.00000    0.03345   -0.38998
 193 Br1   DYZ      -0.00000    0.00000    0.00000   -0.00521    0.00567
  MO:                 106        107        108        109        110    
  Eigenvalues:       1.05052    1.07442    1.08586    1.12076    1.13496
          (ev)      28.58601   29.23653   29.54786   30.49743   30.88392

                       A'         A"         A'         A'         A'     
   1 *C1   S1       -0.03692   -0.00000    0.00800    0.00355   -0.02362
   2 *C1   S        -1.11635   -0.00000    0.17958    0.29383   -0.52521
   3 *C1   PX        0.11730    0.00000   -0.18823    0.55562    0.22378
   4 *C1   PY       -0.00051    0.00000    0.07241   -0.00477    0.03006
   5 *C1   PZ        0.00000   -0.05566   -0.00000    0.00000   -0.00000
   6 *C1   S'        4.65810    0.00000   -0.81971    0.84434    1.70125
   7 *C1   PX'       0.52236    0.00000    0.63384   -1.59596   -0.75597
   8 *C1   PY'       0.00516    0.00000   -0.20293    0.02281   -0.08621
   9 *C1   PZ'      -0.00000    1.01110    0.00000   -0.00000    0.00000
  10 *C1   DXX      -0.16078   -0.00000    0.04300   -0.03293   -0.07612
  11 *C1   DYY       0.02474    0.00000    0.00444   -0.04697   -0.00464
  12 *C1   DZZ       0.00454    0.00000   -0.01446    0.08858    0.00597
  13 *C1   DXY       0.00486    0.00000    0.01395    0.00152    0.01100
  14 *C1   DXZ       0.00000    0.00102    0.00000    0.00000    0.00000
  15 *C1   DYZ       0.00000    0.02429    0.00000   -0.00000   -0.00000
  16 *C4   S1       -0.03167   -0.00000    0.00704    0.00043   -0.03351
  17 *C4   S        -0.69715   -0.00000    0.26894   -0.24593   -0.76967
  18 *C4   PX       -0.25950   -0.00000   -0.18404    0.46420    0.18801
  19 *C4   PY        0.03443    0.00000   -0.12331    0.00537   -0.06599
  20 *C4   PZ        0.00000    0.02477    0.00000   -0.00000    0.00000
  21 *C4   S'        2.07774    0.00000   -0.59999   -1.56083    2.98514
  22 *C4   PX'       2.54280    0.00000    1.29163   -1.43421   -1.27737
  23 *C4   PY'      -0.03206   -0.00000    0.52715    0.01329    0.25724
  24 *C4   PZ'       0.00000   -0.59802   -0.00000    0.00000   -0.00000
  25 *C4   DXX      -0.00632   -0.00000    0.03211    0.01558   -0.09686
  26 *C4   DYY      -0.00126    0.00000   -0.03296    0.05213    0.02908
  27 *C4   DZZ      -0.06962   -0.00000    0.02720   -0.10510    0.00256
  28 *C4   DXY      -0.00543    0.00000   -0.25136   -0.02195   -0.14266
  29 *C4   DXZ       0.00000    0.02111    0.00000    0.00000    0.00000
  30 *C4   DYZ       0.00000    0.05210    0.00000   -0.00000   -0.00000
  31 C2    S1        0.00684    0.00161   -0.00111   -0.00714    0.01227
  32 C2    S         0.17736    0.11615   -0.08134   -0.11541    0.34701
  33 C2    PX       -0.26111    0.08108   -0.04054    0.08479    0.07674
  34 C2    PY        0.00735    0.02374    0.01979    0.00399    0.00975
  35 C2    PZ        0.09420   -0.02310   -0.04773    0.14758    0.02675
  36 C2    S'       -0.94906   -0.13151   -0.37219    1.64767   -0.98554
  37 C2    PX'       1.48606   -0.87496   -0.44525    0.85141    0.11054
  38 C2    PY'      -0.04312   -0.06432    0.07452   -0.02833    0.02785
  39 C2    PZ'      -1.21199    0.60701    0.20626   -1.14369   -0.00853
  40 C2    DXX       0.04933   -0.00421   -0.01756   -0.00129    0.02967
  41 C2    DYY       0.01877   -0.00537    0.00709   -0.01431   -0.01920
  42 C2    DZZ      -0.05254    0.02559   -0.00652    0.00430    0.03269
  43 C2    DXY       0.00601    0.02209   -0.00217    0.00201   -0.00123
  44 C2    DXZ       0.02360    0.00013    0.00325   -0.06545    0.02872
  45 C2    DYZ       0.00381   -0.00847    0.02887    0.00418    0.01813
  46 *C2   S1        0.00684   -0.00161   -0.00111   -0.00714    0.01227
  47 *C2   S         0.17736   -0.11615   -0.08134   -0.11541    0.34701
  48 *C2   PX       -0.26111   -0.08108   -0.04054    0.08479    0.07674
  49 *C2   PY        0.00735   -0.02374    0.01979    0.00399    0.00975
  50 *C2   PZ       -0.09420   -0.02310    0.04773   -0.14758   -0.02675
  51 *C2   S'       -0.94906    0.13151   -0.37219    1.64767   -0.98554
  52 *C2   PX'       1.48606    0.87496   -0.44525    0.85141    0.11054
  53 *C2   PY'      -0.04312    0.06432    0.07452   -0.02833    0.02785
  54 *C2   PZ'       1.21199    0.60701   -0.20626    1.14369    0.00853
  55 *C2   DXX       0.04933    0.00421   -0.01756   -0.00129    0.02967
  56 *C2   DYY       0.01877    0.00537    0.00709   -0.01431   -0.01920
  57 *C2   DZZ      -0.05254   -0.02559   -0.00652    0.00430    0.03269
  58 *C2   DXY       0.00601   -0.02209   -0.00217    0.00201   -0.00123
  59 *C2   DXZ      -0.02360    0.00013   -0.00325    0.06545   -0.02872
  60 *C2   DYZ      -0.00381   -0.00847   -0.02887   -0.00418   -0.01813
  61 *C3   S1        0.01269    0.00096   -0.00747    0.00362    0.01129
  62 *C3   S         0.47535    0.11861   -0.12041    0.01813    0.16489
  63 *C3   PX       -0.18171   -0.04207   -0.03100    0.05244    0.16128
  64 *C3   PY       -0.01225    0.07006   -0.03837   -0.01261   -0.02589
  65 *C3   PZ        0.03242    0.13952   -0.02299    0.15967   -0.04812
  66 *C3   S'       -1.47051   -0.61487    1.15199   -1.27978   -1.21358
  67 *C3   PX'       0.32892    0.57139   -0.38488    0.97111   -0.61292
  68 *C3   PY'       0.03511   -0.13972   -0.15924    0.01333   -0.06222
  69 *C3   PZ'      -1.03694   -0.87844   -0.16952   -1.30634    0.77398
  70 *C3   DXX       0.00796   -0.00337   -0.01278   -0.00406    0.03359
  71 *C3   DYY       0.00573    0.01193   -0.01201    0.02181   -0.00444
  72 *C3   DZZ       0.04587    0.00210    0.01387   -0.01207   -0.01715
  73 *C3   DXY      -0.00986    0.01827   -0.01707   -0.00413   -0.00954
  74 *C3   DXZ       0.05198   -0.00026   -0.02368    0.05694    0.04435
  75 *C3   DYZ      -0.00577   -0.02347   -0.11652   -0.01114   -0.07123
  76 C3    S1        0.01269   -0.00096   -0.00747    0.00362    0.01129
  77 C3    S         0.47535   -0.11861   -0.12041    0.01813    0.16489
  78 C3    PX       -0.18171    0.04207   -0.03100    0.05244    0.16128
  79 C3    PY       -0.01225   -0.07006   -0.03837   -0.01261   -0.02589
  80 C3    PZ       -0.03242    0.13952    0.02299   -0.15967    0.04812
  81 C3    S'       -1.47051    0.61487    1.15199   -1.27978   -1.21358
  82 C3    PX'       0.32892   -0.57139   -0.38488    0.97111   -0.61292
  83 C3    PY'       0.03511    0.13972   -0.15924    0.01333   -0.06222
  84 C3    PZ'       1.03694   -0.87844    0.16952    1.30634   -0.77398
  85 C3    DXX       0.00796    0.00337   -0.01278   -0.00406    0.03359
  86 C3    DYY       0.00573   -0.01193   -0.01201    0.02181   -0.00444
  87 C3    DZZ       0.04587   -0.00210    0.01387   -0.01207   -0.01715
  88 C3    DXY      -0.00986   -0.01827   -0.01707   -0.00413   -0.00954
  89 C3    DXZ      -0.05198   -0.00026    0.02368   -0.05694   -0.04435
  90 C3    DYZ       0.00577   -0.02347    0.11652    0.01114    0.07123
  91 H2    S         0.02177    0.01072    0.04484   -0.29691    0.04373
  92 H2    S'        0.05965    0.07470   -0.00885   -0.34870    0.15445
  93 *H2   S         0.02177   -0.01072    0.04484   -0.29691    0.04373
  94 *H2   S'        0.05965   -0.07470   -0.00885   -0.34870    0.15445
  95 *H3   S         0.18614    0.01893   -0.04943    0.27017    0.12218
  96 *H3   S'        0.52864    0.44256    0.03336    0.38032   -0.12711
  97 H3    S         0.18614   -0.01893   -0.04943    0.27017    0.12218
  98 H3    S'        0.52864   -0.44256    0.03336    0.38032   -0.12711
  99 C7    S1        0.03404    0.00000    0.00626    0.01830   -0.00967
 100 C7    S         0.45169    0.00000    0.02060    0.26086   -0.11713
 101 C7    PX       -0.10666   -0.00000    0.03791   -0.07586    0.08865
 102 C7    PY        0.05886   -0.00000    0.24783    0.13792   -0.13944
 103 C7    PZ        0.00000   -0.23768    0.00000   -0.00000    0.00000
 104 C7    S'       -3.38326   -0.00000   -0.77657    0.81374    0.55251
 105 C7    PX'       1.54498    0.00000    0.29989   -0.33229   -0.24258
 106 C7    PY'       0.02277    0.00000   -0.58049   -0.16398   -0.32359
 107 C7    PZ'      -0.00000    0.01231   -0.00000    0.00000   -0.00000
 108 C7    DXX      -0.02291    0.00000   -0.02161    0.07087   -0.07782
 109 C7    DYY      -0.00152   -0.00000    0.02542    0.11525   -0.09583
 110 C7    DZZ      -0.10870    0.00000   -0.01996   -0.03901    0.19471
 111 C7    DXY       0.01501   -0.00000    0.28150    0.04181    0.11117
 112 C7    DXZ       0.00000   -0.07982    0.00000   -0.00000    0.00000
 113 C7    DYZ      -0.00000    0.19961    0.00000    0.00000    0.00000
 114 F1    S1        0.00947   -0.02981    0.01359    0.00176   -0.00392
 115 F1    S         0.34509   -0.73730    0.31882    0.07765   -0.18890
 116 F1    PX        0.05524   -0.11535    0.23555   -0.01897   -0.00620
 117 F1    PY       -0.06293    0.34741   -0.16472    0.09298   -0.18559
 118 F1    PZ       -0.22061    0.21893    0.00767    0.01631    0.34311
 119 F1    S'       -0.42273    1.33448   -0.63605   -0.16932    0.24073
 120 F1    PX'      -0.20490    0.19230   -0.26395    0.02065    0.07824
 121 F1    PY'       0.14347   -0.42754    0.25864   -0.08818    0.16999
 122 F1    PZ'       0.36203   -0.36908    0.03537   -0.03758   -0.46557
 123 F1    DXX       0.20401   -0.30284    0.18614    0.00092   -0.06059
 124 F1    DYY       0.11238   -0.37683    0.19050    0.01347   -0.00696
 125 F1    DZZ       0.17503   -0.33938    0.05874    0.05979   -0.19663
 126 F1    DXY       0.01429    0.00934    0.02591   -0.00159    0.00398
 127 F1    DXZ      -0.00369   -0.02628   -0.02934    0.00352   -0.07686
 128 F1    DYZ       0.03351   -0.00359    0.03639   -0.00728    0.04857
 129 F2    S1       -0.00940    0.00000   -0.03250   -0.02220    0.00087
 130 F2    S        -0.06613    0.00000   -0.68998   -0.40991    0.06306
 131 F2    PX        0.05639    0.00000   -0.37045   -0.13633   -0.06629
 132 F2    PY        0.05949    0.00000   -0.17075   -0.32716    0.25106
 133 F2    PZ        0.00000   -0.29569   -0.00000    0.00000    0.00000
 134 F2    S'        0.35982   -0.00000    1.49773    0.82134   -0.01951
 135 F2    PX'      -0.18605   -0.00000    0.37797    0.16016    0.04400
 136 F2    PY'      -0.16007   -0.00000    0.27070    0.47645   -0.35107
 137 F2    PZ'      -0.00000    0.28969    0.00000    0.00000   -0.00000
 138 F2    DXX       0.04011    0.00000   -0.37069   -0.22126   -0.00300
 139 F2    DYY      -0.01642    0.00000   -0.25556   -0.16993    0.03755
 140 F2    DZZ      -0.10140    0.00000   -0.30482   -0.22292    0.08934
 141 F2    DXY       0.00130    0.00000   -0.03751    0.02278   -0.03887
 142 F2    DXZ       0.00000   -0.01937    0.00000    0.00000    0.00000
 143 F2    DYZ       0.00000   -0.06192   -0.00000    0.00000   -0.00000
 144 F3    S1        0.00947    0.02981    0.01359    0.00176   -0.00392
 145 F3    S         0.34509    0.73730    0.31882    0.07765   -0.18890
 146 F3    PX        0.05524    0.11535    0.23555   -0.01897   -0.00620
 147 F3    PY       -0.06293   -0.34741   -0.16472    0.09298   -0.18559
 148 F3    PZ        0.22061    0.21893   -0.00767   -0.01631   -0.34311
 149 F3    S'       -0.42273   -1.33448   -0.63605   -0.16932    0.24073
 150 F3    PX'      -0.20490   -0.19230   -0.26395    0.02065    0.07824
 151 F3    PY'       0.14347    0.42754    0.25864   -0.08818    0.16999
 152 F3    PZ'      -0.36203   -0.36908   -0.03537    0.03758    0.46557
 153 F3    DXX       0.20401    0.30284    0.18614    0.00092   -0.06059
 154 F3    DYY       0.11238    0.37683    0.19050    0.01347   -0.00696
 155 F3    DZZ       0.17503    0.33938    0.05874    0.05979   -0.19663
 156 F3    DXY       0.01429   -0.00934    0.02591   -0.00159    0.00398
 157 F3    DXZ       0.00369   -0.02628    0.02934   -0.00352    0.07686
 158 F3    DYZ      -0.03351   -0.00359   -0.03639    0.00728   -0.04857
 159 Br1   S        -0.00106    0.00000   -0.00078    0.00238    0.00184
 160 Br1   S         0.00749    0.00000   -0.00502    0.01474    0.00596
 161 Br1   PX       -0.00685    0.00000    0.00837   -0.01727   -0.01385
 162 Br1   PY       -0.00023    0.00000   -0.00030   -0.00003    0.00000
 163 Br1   PZ        0.00000   -0.00450    0.00000    0.00000    0.00000
 164 Br1   S         0.03444    0.00000    0.00342   -0.00933   -0.02144
 165 Br1   PX        0.02607    0.00000   -0.03017    0.06195    0.04973
 166 Br1   PY        0.00079    0.00000    0.00109    0.00008    0.00000
 167 Br1   PZ        0.00000    0.01596    0.00000    0.00000    0.00000
 168 Br1   S        -0.08968   -0.00000   -0.03657    0.18556    0.06952
 169 Br1   PX       -0.20255   -0.00000    0.16491   -0.33533   -0.25296
 170 Br1   PY       -0.00221    0.00000   -0.00814    0.00051   -0.00130
 171 Br1   PZ        0.00000   -0.07180   -0.00000    0.00000    0.00000
 172 Br1   S         0.11512   -0.00000    0.29975   -0.54905   -0.60676
 173 Br1   PX        0.04766   -0.00000    0.17582   -0.29496   -0.35822
 174 Br1   PY        0.00399    0.00000    0.05456    0.00549    0.03143
 175 Br1   PZ        0.00000    0.02968   -0.00000    0.00000   -0.00000
 176 Br1   DXX      -0.04055    0.00000   -0.00636    0.01361    0.01872
 177 Br1   DYY       0.06238    0.00000   -0.00459    0.00236   -0.00005
 178 Br1   DZZ      -0.02071    0.00000    0.00910   -0.00807   -0.01688
 179 Br1   DXY       0.00079    0.00000   -0.01455   -0.00030   -0.00737
 180 Br1   DXZ       0.00000    0.00387    0.00000    0.00000    0.00000
 181 Br1   DYZ       0.00000    0.00296    0.00000    0.00000    0.00000
 182 Br1   DXX      -0.03240    0.00000   -0.00212    0.00899    0.01406
 183 Br1   DYY      -0.03142    0.00000    0.00581   -0.00408   -0.00140
 184 Br1   DZZ      -0.03956    0.00000    0.00708   -0.00603   -0.00197
 185 Br1   DXY       0.00006    0.00000   -0.00188   -0.00009   -0.00091
 186 Br1   DXZ       0.00000    0.00332    0.00000    0.00000    0.00000
 187 Br1   DYZ       0.00000    0.00007    0.00000    0.00000    0.00000
 188 Br1   DXX      -0.08727   -0.00000    0.10948   -0.16303   -0.17906
 189 Br1   DYY      -0.36875   -0.00000    0.00697    0.03979    0.06269
 190 Br1   DZZ      -0.03457    0.00000   -0.04898    0.09052    0.12676
 191 Br1   DXY      -0.00245    0.00000    0.06432    0.00242    0.03413
 192 Br1   DXZ       0.00000   -0.04273   -0.00000    0.00000   -0.00000
 193 Br1   DYZ       0.00000   -0.01056    0.00000    0.00000    0.00000
  MO:                 111        112        113        114        115    
  Eigenvalues:       1.13662    1.16888    1.21469    1.21506    1.24578
          (ev)      30.92900   31.80698   33.05349   33.06344   33.89929

                       A"         A'         A"         A'         A"     
   1 *C1   S1        0.00000   -0.02223    0.00000   -0.00056    0.00000
   2 *C1   S         0.00000   -0.90914    0.00000    0.24499    0.00000
   3 *C1   PX        0.00000    0.08627   -0.00000   -0.34865    0.00000
   4 *C1   PY       -0.00000   -0.00810    0.00000   -0.00689    0.00000
   5 *C1   PZ       -0.13583   -0.00000   -0.08927    0.00000   -0.57101
   6 *C1   S'        0.00000    1.19781   -0.00000    0.34897   -0.00000
   7 *C1   PX'       0.00000   -1.32801    0.00000    2.48276   -0.00000
   8 *C1   PY'       0.00000    0.03755   -0.00000    0.03873    0.00000
   9 *C1   PZ'       0.18738    0.00000    1.09694   -0.00000    6.46084
  10 *C1   DXX       0.00000   -0.10773    0.00000    0.03207    0.00000
  11 *C1   DYY       0.00000    0.04077    0.00000    0.04041    0.00000
  12 *C1   DZZ       0.00000   -0.05067    0.00000   -0.01046    0.00000
  13 *C1   DXY       0.00000    0.00118    0.00000    0.00954    0.00000
  14 *C1   DXZ       0.06818    0.00000    0.00489    0.00000    0.00836
  15 *C1   DYZ       0.00810    0.00000    0.33143   -0.00000   -0.06666
  16 *C4   S1        0.00000   -0.01347    0.00000   -0.02566    0.00000
  17 *C4   S         0.00000    0.23949   -0.00000   -0.35338   -0.00000
  18 *C4   PX        0.00000   -0.02654   -0.00000   -0.30378   -0.00000
  19 *C4   PY        0.00000    0.00856    0.00000    0.06577    0.00000
  20 *C4   PZ        0.34927    0.00000   -0.03624    0.00000    0.06026
  21 *C4   S'       -0.00000    1.07487    0.00000    1.49363   -0.00000
  22 *C4   PX'      -0.00000   -1.14264    0.00000    3.86783    0.00000
  23 *C4   PY'      -0.00000   -0.02947   -0.00000   -0.14389   -0.00000
  24 *C4   PZ'      -3.88207    0.00000    0.13821   -0.00000   -0.56729
  25 *C4   DXX       0.00000    0.00758   -0.00000   -0.01042    0.00000
  26 *C4   DYY       0.00000    0.00939    0.00000    0.01631    0.00000
  27 *C4   DZZ      -0.00000    0.02008    0.00000   -0.04252    0.00000
  28 *C4   DXY       0.00000    0.02722    0.00000    0.00042    0.00000
  29 *C4   DXZ      -0.01051    0.00000    0.02159    0.00000    0.07506
  30 *C4   DYZ       0.01843    0.00000    0.33857   -0.00000   -0.05568
  31 C2    S1       -0.01366    0.00968   -0.00604   -0.00390   -0.03741
  32 C2    S        -0.59425    0.45524   -0.06920   -0.23696   -0.51647
  33 C2    PX       -0.14395    0.01754    0.03140   -0.11088    0.10502
  34 C2    PY        0.00183    0.00320    0.00575    0.01171    0.00234
  35 C2    PZ       -0.23234    0.03771    0.01177   -0.05100    0.11206
  36 C2    S'        0.42884   -0.50548    0.77042   -0.80568    4.88222
  37 C2    PX'       0.42849    0.77462   -0.51768   -0.55467   -2.89007
  38 C2    PY'      -0.01211   -0.02463   -0.00462   -0.07466    0.01858
  39 C2    PZ'       0.73664    1.12289    0.30464   -0.89365    1.36887
  40 C2    DXX      -0.06747    0.03871   -0.00260   -0.01929   -0.03469
  41 C2    DYY       0.02856   -0.00980   -0.00248    0.05347    0.02185
  42 C2    DZZ      -0.01617    0.04255   -0.00198   -0.07729   -0.03920
  43 C2    DXY       0.01145    0.00101    0.27654    0.02270   -0.05535
  44 C2    DXZ       0.03271    0.05136   -0.02204   -0.01157   -0.12084
  45 C2    DYZ      -0.00239   -0.00204   -0.16370    0.01187    0.03385
  46 *C2   S1        0.01366    0.00968    0.00604   -0.00390    0.03741
  47 *C2   S         0.59425    0.45524    0.06920   -0.23696    0.51647
  48 *C2   PX        0.14395    0.01754   -0.03140   -0.11088   -0.10502
  49 *C2   PY       -0.00183    0.00320   -0.00575    0.01171   -0.00234
  50 *C2   PZ       -0.23234   -0.03771    0.01177    0.05100    0.11206
  51 *C2   S'       -0.42884   -0.50548   -0.77042   -0.80568   -4.88222
  52 *C2   PX'      -0.42849    0.77462    0.51768   -0.55467    2.89007
  53 *C2   PY'       0.01211   -0.02463    0.00462   -0.07466   -0.01858
  54 *C2   PZ'       0.73664   -1.12289    0.30464    0.89365    1.36887
  55 *C2   DXX       0.06747    0.03871    0.00260   -0.01929    0.03469
  56 *C2   DYY      -0.02856   -0.00980    0.00248    0.05347   -0.02185
  57 *C2   DZZ       0.01617    0.04255    0.00198   -0.07729    0.03920
  58 *C2   DXY      -0.01145    0.00101   -0.27654    0.02270    0.05535
  59 *C2   DXZ       0.03271   -0.05136   -0.02204    0.01157   -0.12084
  60 *C2   DYZ      -0.00239    0.00204   -0.16370   -0.01187    0.03385
  61 *C3   S1       -0.02240   -0.00227    0.00024   -0.00128   -0.00916
  62 *C3   S        -0.45201   -0.33529   -0.06031    0.16788   -0.51663
  63 *C3   PX       -0.22217   -0.03211   -0.00705   -0.21227    0.05236
  64 *C3   PY        0.00983   -0.00729    0.00368   -0.03537    0.00961
  65 *C3   PZ       -0.22169    0.00087    0.03570   -0.12995    0.17713
  66 *C3   S'        3.82272   -0.16762   -0.20794    1.05448    0.17968
  67 *C3   PX'       2.09719    0.62429    0.02141   -0.52845    0.38760
  68 *C3   PY'      -0.04441    0.02072   -0.01609    0.11925   -0.02656
  69 *C3   PZ'      -0.03498    1.35927   -0.21879   -0.94058   -1.09004
  70 *C3   DXX       0.03703   -0.01532    0.00640   -0.01418   -0.01988
  71 *C3   DYY      -0.01077    0.03247   -0.00077    0.00306    0.01939
  72 *C3   DZZ      -0.07939   -0.07342   -0.00972    0.03962   -0.03974
  73 *C3   DXY       0.01034    0.00259    0.27859   -0.02291   -0.05472
  74 *C3   DXZ      -0.10509   -0.03147    0.01520    0.01128    0.04931
  75 *C3   DYZ      -0.00188    0.01724   -0.16713    0.00066    0.02643
  76 C3    S1        0.02240   -0.00227   -0.00024   -0.00128    0.00916
  77 C3    S         0.45201   -0.33529    0.06031    0.16788    0.51663
  78 C3    PX        0.22217   -0.03211    0.00705   -0.21227   -0.05236
  79 C3    PY       -0.00983   -0.00729   -0.00368   -0.03537   -0.00961
  80 C3    PZ       -0.22169   -0.00087    0.03570    0.12995    0.17713
  81 C3    S'       -3.82272   -0.16762    0.20794    1.05448   -0.17968
  82 C3    PX'      -2.09719    0.62429   -0.02141   -0.52845   -0.38760
  83 C3    PY'       0.04441    0.02072    0.01609    0.11925    0.02656
  84 C3    PZ'      -0.03498   -1.35927   -0.21879    0.94058   -1.09004
  85 C3    DXX      -0.03703   -0.01532   -0.00640   -0.01418    0.01988
  86 C3    DYY       0.01077    0.03247    0.00077    0.00306   -0.01939
  87 C3    DZZ       0.07939   -0.07342    0.00972    0.03962    0.03974
  88 C3    DXY      -0.01034    0.00259   -0.27859   -0.02291    0.05472
  89 C3    DXZ      -0.10509    0.03147    0.01520   -0.01128    0.04931
  90 C3    DYZ      -0.00188   -0.01724   -0.16713   -0.00066    0.02643
  91 H2    S         0.13704    0.39989   -0.04299   -0.15118   -0.35544
  92 H2    S'        0.20014    0.64650   -0.06253   -0.36308   -0.54814
  93 *H2   S        -0.13704    0.39989    0.04299   -0.15118    0.35544
  94 *H2   S'       -0.20014    0.64650    0.06253   -0.36308    0.54814
  95 *H3   S        -0.42624   -0.34146    0.04338    0.25968    0.10349
  96 *H3   S'       -0.83644   -0.60732    0.07598    0.22285    0.17876
  97 H3    S         0.42624   -0.34146   -0.04338    0.25968   -0.10349
  98 H3    S'        0.83644   -0.60732   -0.07598    0.22285   -0.17876
  99 C7    S1        0.00000    0.03307    0.00000    0.08671    0.00000
 100 C7    S         0.00000    0.57807    0.00000    0.92916    0.00000
 101 C7    PX       -0.00000   -0.10488    0.00000    0.13895    0.00000
 102 C7    PY        0.00000    0.05631   -0.00000   -0.06029    0.00000
 103 C7    PZ        0.26048    0.00000    0.04719    0.00000    0.05108
 104 C7    S'        0.00000   -0.14456   -0.00000   -4.23988   -0.00000
 105 C7    PX'      -0.00000    0.14323    0.00000    1.86902    0.00000
 106 C7    PY'       0.00000    0.06926    0.00000    0.12225    0.00000
 107 C7    PZ'       0.00119    0.00000    0.01379    0.00000   -0.21716
 108 C7    DXX       0.00000    0.02832   -0.00000   -0.04568    0.00000
 109 C7    DYY       0.00000    0.11083    0.00000    0.07321    0.00000
 110 C7    DZZ      -0.00000    0.04655    0.00000    0.13502    0.00000
 111 C7    DXY      -0.00000   -0.01330    0.00000   -0.01019    0.00000
 112 C7    DXZ       0.14281    0.00000   -0.00845    0.00000    0.00613
 113 C7    DYZ       0.06064    0.00000   -0.00863    0.00000   -0.02425
 114 F1    S1       -0.00010   -0.00748   -0.00480   -0.01158    0.00865
 115 F1    S        -0.05591   -0.08823   -0.03660   -0.11167    0.07506
 116 F1    PX        0.05280   -0.07264    0.10822   -0.10856    0.19611
 117 F1    PY        0.12263    0.16439   -0.05106    0.12282    0.04268
 118 F1    PZ       -0.00256    0.09438   -0.01592    0.27556    0.02168
 119 F1    S'        0.04237    0.23523    0.10326    0.47074   -0.24478
 120 F1    PX'       0.01990    0.05717   -0.14910    0.04299   -0.21201
 121 F1    PY'      -0.10219   -0.21103    0.06883   -0.15790   -0.06928
 122 F1    PZ'       0.05240   -0.14314    0.03634   -0.32288   -0.02641
 123 F1    DXX       0.04240   -0.04699   -0.02327    0.01580    0.03857
 124 F1    DYY      -0.04182   -0.09485   -0.00687   -0.14578    0.04046
 125 F1    DZZ      -0.05801   -0.01884   -0.02541   -0.07685    0.04419
 126 F1    DXY      -0.00133   -0.02731    0.01057   -0.01350   -0.00973
 127 F1    DXZ      -0.03227   -0.00699    0.01139   -0.07160    0.02396
 128 F1    DYZ      -0.05551    0.01921   -0.00227    0.10733   -0.01406
 129 F2    S1        0.00000   -0.00819    0.00000   -0.01328    0.00000
 130 F2    S        -0.00000   -0.12597   -0.00000   -0.10027   -0.00000
 131 F2    PX        0.00000   -0.15049    0.00000    0.05736    0.00000
 132 F2    PY       -0.00000   -0.30761   -0.00000   -0.21914    0.00000
 133 F2    PZ        0.02936    0.00000    0.05348    0.00000   -0.07712
 134 F2    S'        0.00000    0.25724    0.00000    0.45037    0.00000
 135 F2    PX'       0.00000    0.17004   -0.00000   -0.17797   -0.00000
 136 F2    PY'       0.00000    0.44894    0.00000    0.20474    0.00000
 137 F2    PZ'      -0.02040   -0.00000   -0.06049   -0.00000    0.13070
 138 F2    DXX      -0.00000   -0.07977    0.00000    0.01863    0.00000
 139 F2    DYY      -0.00000   -0.03547    0.00000   -0.01629    0.00000
 140 F2    DZZ      -0.00000   -0.12620   -0.00000   -0.18347   -0.00000
 141 F2    DXY       0.00000    0.05582    0.00000    0.03190    0.00000
 142 F2    DXZ       0.05953    0.00000   -0.01383    0.00000    0.03634
 143 F2    DYZ      -0.07915    0.00000    0.01954    0.00000   -0.01089
 144 F3    S1        0.00010   -0.00748    0.00480   -0.01158   -0.00865
 145 F3    S         0.05591   -0.08823    0.03660   -0.11167   -0.07506
 146 F3    PX       -0.05280   -0.07264   -0.10822   -0.10856   -0.19611
 147 F3    PY       -0.12263    0.16439    0.05106    0.12282   -0.04268
 148 F3    PZ       -0.00256   -0.09438   -0.01592   -0.27556    0.02168
 149 F3    S'       -0.04237    0.23523   -0.10326    0.47074    0.24478
 150 F3    PX'      -0.01990    0.05717    0.14910    0.04299    0.21201
 151 F3    PY'       0.10219   -0.21103   -0.06883   -0.15790    0.06928
 152 F3    PZ'       0.05240    0.14314    0.03634    0.32288   -0.02641
 153 F3    DXX      -0.04240   -0.04699    0.02327    0.01580   -0.03857
 154 F3    DYY       0.04182   -0.09485    0.00687   -0.14578   -0.04046
 155 F3    DZZ       0.05801   -0.01884    0.02541   -0.07685   -0.04419
 156 F3    DXY       0.00133   -0.02731   -0.01057   -0.01350    0.00973
 157 F3    DXZ      -0.03227    0.00699    0.01139    0.07160    0.02396
 158 F3    DYZ      -0.05551   -0.01921   -0.00227   -0.10733   -0.01406
 159 Br1   S         0.00000    0.00241    0.00000   -0.00526    0.00000
 160 Br1   S         0.00000    0.01275    0.00000   -0.02098    0.00000
 161 Br1   PX        0.00000   -0.01934    0.00000    0.02678    0.00000
 162 Br1   PY        0.00000    0.00007    0.00000   -0.00093    0.00000
 163 Br1   PZ        0.00170    0.00000   -0.00510    0.00000   -0.02979
 164 Br1   S         0.00000   -0.01661    0.00000    0.04772    0.00000
 165 Br1   PX        0.00000    0.06966   -0.00000   -0.09564    0.00000
 166 Br1   PY        0.00000   -0.00027    0.00000    0.00329    0.00000
 167 Br1   PZ       -0.00595    0.00000    0.01798   -0.00000    0.10503
 168 Br1   S         0.00000    0.11831   -0.00000   -0.35952   -0.00000
 169 Br1   PX        0.00000   -0.36487    0.00000    0.47426    0.00000
 170 Br1   PY        0.00000    0.00223    0.00000   -0.01387    0.00000
 171 Br1   PZ        0.02611   -0.00000   -0.07423    0.00000   -0.42995
 172 Br1   S         0.00000   -0.62854    0.00000    1.02093    0.00000
 173 Br1   PX        0.00000   -0.35757    0.00000    0.55236    0.00000
 174 Br1   PY       -0.00000   -0.00030    0.00000   -0.00176    0.00000
 175 Br1   PZ       -0.09056   -0.00000   -0.02460    0.00000   -0.18914
 176 Br1   DXX       0.00000    0.01766    0.00000   -0.04269    0.00000
 177 Br1   DYY       0.00000    0.01345    0.00000    0.01070    0.00000
 178 Br1   DZZ       0.00000   -0.02630    0.00000    0.02042    0.00000
 179 Br1   DXY       0.00000    0.00120    0.00000    0.00132    0.00000
 180 Br1   DXZ       0.00802    0.00000    0.01709   -0.00000    0.10753
 181 Br1   DYZ       0.00043    0.00000    0.00899    0.00000   -0.00211
 182 Br1   DXX       0.00000    0.00882    0.00000   -0.03566    0.00000
 183 Br1   DYY       0.00000   -0.01035    0.00000   -0.01230    0.00000
 184 Br1   DZZ       0.00000   -0.01070    0.00000   -0.01227    0.00000
 185 Br1   DXY       0.00000   -0.00005    0.00000    0.00060    0.00000
 186 Br1   DXZ       0.00121    0.00000    0.00436    0.00000    0.02454
 187 Br1   DYZ      -0.00002    0.00000   -0.00081    0.00000   -0.00007
 188 Br1   DXX       0.00000   -0.23625    0.00000    0.24077    0.00000
 189 Br1   DYY       0.00000   -0.00086   -0.00000   -0.22058   -0.00000
 190 Br1   DZZ       0.00000    0.14740   -0.00000   -0.25762   -0.00000
 191 Br1   DXY      -0.00000   -0.00338    0.00000   -0.01093    0.00000
 192 Br1   DXZ      -0.04113   -0.00000   -0.10346    0.00000   -0.63777
 193 Br1   DYZ      -0.00137    0.00000   -0.02862    0.00000    0.00919
  MO:                 116        117        118        119        120    
  Eigenvalues:       1.32568    1.32818    1.33873    1.36247    1.37563
          (ev)      36.07357   36.14167   36.42864   37.07472   37.43295

                       A"         A"         A'         A'         A'     
   1 *C1   S1        0.00000    0.00000   -0.01732   -0.02746    0.00401
   2 *C1   S         0.00000   -0.00000   -0.15712   -0.29460    0.03651
   3 *C1   PX        0.00000   -0.00000   -0.24492   -0.36278   -0.00598
   4 *C1   PY        0.00000    0.00000   -0.00025    0.00533    0.01494
   5 *C1   PZ       -0.24853   -0.00913   -0.00000   -0.00000    0.00000
   6 *C1   S'       -0.00000    0.00000    1.56995    2.65833   -0.64601
   7 *C1   PX'      -0.00000    0.00000    2.20860    3.33262   -0.29649
   8 *C1   PY'       0.00000    0.00000   -0.03647   -0.07450   -0.01692
   9 *C1   PZ'       1.25052    0.54084    0.00000    0.00000    0.00000
  10 *C1   DXX       0.00000    0.00000   -0.00615   -0.01992    0.00742
  11 *C1   DYY      -0.00000    0.00000    0.01002    0.01474    0.00444
  12 *C1   DZZ       0.00000    0.00000    0.00579    0.01365   -0.01141
  13 *C1   DXY       0.00000    0.00000   -0.01171   -0.03313    0.08257
  14 *C1   DXZ      -0.02536    0.01968    0.00000    0.00000   -0.00000
  15 *C1   DYZ       0.05561   -0.00246    0.00000    0.00000   -0.00000
  16 *C4   S1        0.00000    0.00000   -0.01932   -0.01185   -0.00155
  17 *C4   S         0.00000   -0.00000   -0.40581   -0.26453    0.00380
  18 *C4   PX       -0.00000    0.00000    0.17703    0.33346    0.00152
  19 *C4   PY        0.00000    0.00000   -0.13956    0.00954    0.00782
  20 *C4   PZ        0.27925    0.06337    0.00000    0.00000    0.00000
  21 *C4   S'       -0.00000    0.00000    1.33647    0.42386    0.45496
  22 *C4   PX'       0.00000   -0.00000   -1.90845   -3.79618   -0.35249
  23 *C4   PY'      -0.00000    0.00000    0.25768   -0.00862    0.12204
  24 *C4   PZ'      -0.85008   -0.75130   -0.00000    0.00000   -0.00000
  25 *C4   DXX       0.00000   -0.00000   -0.07498   -0.05674   -0.02137
  26 *C4   DYY      -0.00000    0.00000    0.05173    0.03110    0.03980
  27 *C4   DZZ       0.00000    0.00000    0.00674    0.01665   -0.01045
  28 *C4   DXY      -0.00000    0.00000    0.14734   -0.10268    0.05347
  29 *C4   DXZ      -0.07318   -0.03045   -0.00000    0.00000   -0.00000
  30 *C4   DYZ       0.00512    0.01438   -0.00000    0.00000    0.00000
  31 C2    S1        0.00002   -0.00348    0.01362    0.02163   -0.00295
  32 C2    S         0.05750   -0.10069    0.18161    0.33806   -0.04109
  33 C2    PX       -0.03452    0.00607    0.10524    0.19656   -0.00665
  34 C2    PY       -0.00340   -0.00188    0.00721    0.00653   -0.03080
  35 C2    PZ        0.18838   -0.06540   -0.01723   -0.01047   -0.00886
  36 C2    S'        0.70114    0.29011   -1.13453   -1.52358    0.38295
  37 C2    PX'      -0.87479   -0.20086   -0.69530   -0.91401    0.09040
  38 C2    PY'       0.04355    0.00882    0.02982    0.05234   -0.00827
  39 C2    PZ'      -1.30975    0.73664   -1.00292   -1.64481    0.40506
  40 C2    DXX       0.02583   -0.00717    0.04353    0.07742   -0.00106
  41 C2    DYY       0.00217   -0.00221   -0.01433   -0.02895   -0.00079
  42 C2    DZZ      -0.03742    0.00507   -0.03059   -0.04590    0.00485
  43 C2    DXY       0.02861   -0.00145   -0.03749   -0.08159    0.14264
  44 C2    DXZ      -0.06324    0.02086    0.00084   -0.01033    0.00872
  45 C2    DYZ      -0.03567   -0.00103   -0.02119   -0.03675    0.08746
  46 *C2   S1       -0.00002    0.00348    0.01362    0.02163   -0.00295
  47 *C2   S        -0.05750    0.10069    0.18161    0.33806   -0.04109
  48 *C2   PX        0.03452   -0.00607    0.10524    0.19656   -0.00665
  49 *C2   PY        0.00340    0.00188    0.00721    0.00653   -0.03080
  50 *C2   PZ        0.18838   -0.06540    0.01723    0.01047    0.00886
  51 *C2   S'       -0.70114   -0.29011   -1.13453   -1.52358    0.38295
  52 *C2   PX'       0.87479    0.20086   -0.69530   -0.91401    0.09040
  53 *C2   PY'      -0.04355   -0.00882    0.02982    0.05234   -0.00827
  54 *C2   PZ'      -1.30975    0.73664    1.00292    1.64481   -0.40506
  55 *C2   DXX      -0.02583    0.00717    0.04353    0.07742   -0.00106
  56 *C2   DYY      -0.00217    0.00221   -0.01433   -0.02895   -0.00079
  57 *C2   DZZ       0.03742   -0.00507   -0.03059   -0.04590    0.00485
  58 *C2   DXY      -0.02861    0.00145   -0.03749   -0.08159    0.14264
  59 *C2   DXZ      -0.06324    0.02086   -0.00084    0.01033   -0.00872
  60 *C2   DYZ      -0.03567   -0.00103    0.02119    0.03675   -0.08746
  61 *C3   S1        0.00328   -0.00431    0.01163    0.01295    0.00207
  62 *C3   S         0.02134   -0.11936    0.19462    0.18954   -0.01083
  63 *C3   PX        0.17403   -0.06840   -0.10290   -0.19298   -0.00096
  64 *C3   PY       -0.03067   -0.00826    0.02510    0.02574   -0.02317
  65 *C3   PZ       -0.08033    0.09898   -0.01126    0.05967   -0.05379
  66 *C3   S'        0.12340    0.50584   -0.56439   -0.74812   -0.23839
  67 *C3   PX'       0.23294    0.40205    0.11519    0.77806    0.10355
  68 *C3   PY'       0.06313    0.00977   -0.08136   -0.04542   -0.02029
  69 *C3   PZ'       1.13002   -0.82216    0.72081    0.99798    0.46435
  70 *C3   DXX      -0.04127   -0.01090    0.06760    0.09719   -0.00577
  71 *C3   DYY      -0.01703    0.00232   -0.01971   -0.02559    0.01461
  72 *C3   DZZ       0.06030   -0.01383   -0.02556   -0.06282   -0.00073
  73 *C3   DXY       0.02326   -0.00003    0.04470    0.07529   -0.14477
  74 *C3   DXZ      -0.03733   -0.01276    0.00727   -0.00746   -0.00532
  75 *C3   DYZ      -0.00114   -0.00717    0.05923   -0.02380   -0.04325
  76 C3    S1       -0.00328    0.00431    0.01163    0.01295    0.00207
  77 C3    S        -0.02134    0.11936    0.19462    0.18954   -0.01083
  78 C3    PX       -0.17403    0.06840   -0.10290   -0.19298   -0.00096
  79 C3    PY        0.03067    0.00826    0.02510    0.02574   -0.02317
  80 C3    PZ       -0.08033    0.09898    0.01126   -0.05967    0.05379
  81 C3    S'       -0.12340   -0.50584   -0.56439   -0.74812   -0.23839
  82 C3    PX'      -0.23294   -0.40205    0.11519    0.77806    0.10355
  83 C3    PY'      -0.06313   -0.00977   -0.08136   -0.04542   -0.02029
  84 C3    PZ'       1.13002   -0.82216   -0.72081   -0.99798   -0.46435
  85 C3    DXX       0.04127    0.01090    0.06760    0.09719   -0.00577
  86 C3    DYY       0.01703   -0.00232   -0.01971   -0.02559    0.01461
  87 C3    DZZ      -0.06030    0.01383   -0.02556   -0.06282   -0.00073
  88 C3    DXY      -0.02326    0.00003    0.04470    0.07529   -0.14477
  89 C3    DXZ      -0.03733   -0.01276   -0.00727    0.00746    0.00532
  90 C3    DYZ      -0.00114   -0.00717   -0.05923    0.02380    0.04325
  91 H2    S        -0.39075    0.08448   -0.17266   -0.26002    0.04236
  92 H2    S'       -0.67262    0.17038   -0.39460   -0.62156    0.11650
  93 *H2   S         0.39075   -0.08448   -0.17266   -0.26002    0.04236
  94 *H2   S'        0.67262   -0.17038   -0.39460   -0.62156    0.11650
  95 *H3   S        -0.22582    0.04681   -0.06078   -0.25930    0.00031
  96 *H3   S'       -0.54896    0.22473   -0.25664   -0.34697   -0.26329
  97 H3    S         0.22582   -0.04681   -0.06078   -0.25930    0.00031
  98 H3    S'        0.54896   -0.22473   -0.25664   -0.34697   -0.26329
  99 C7    S1        0.00000    0.00000   -0.01520   -0.03097   -0.00233
 100 C7    S         0.00000    0.00000   -0.04878   -0.06451   -0.02803
 101 C7    PX        0.00000   -0.00000   -0.03465   -0.16095    0.00886
 102 C7    PY        0.00000    0.00000   -0.02524    0.09486    0.16206
 103 C7    PZ       -0.07953    0.06915   -0.00000   -0.00000   -0.00000
 104 C7    S'       -0.00000    0.00000    1.11924    2.57136    0.16927
 105 C7    PX'       0.00000   -0.00000   -0.57406   -1.28978   -0.12001
 106 C7    PY'       0.00000   -0.00000    0.01894   -0.11956   -0.51091
 107 C7    PZ'       0.54532   -0.17499    0.00000    0.00000    0.00000
 108 C7    DXX       0.00000   -0.00000   -0.05604   -0.05509   -0.02038
 109 C7    DYY      -0.00000    0.00000    0.11911    0.00537    0.28614
 110 C7    DZZ       0.00000    0.00000   -0.06376    0.04831   -0.26404
 111 C7    DXY       0.00000   -0.00000   -0.21764    0.15355   -0.21399
 112 C7    DXZ       0.08363    0.14041    0.00000    0.00000    0.00000
 113 C7    DYZ       0.10766    0.07264    0.00000    0.00000    0.00000
 114 F1    S1       -0.00778    0.00069    0.00390   -0.00264   -0.00307
 115 F1    S        -0.02813   -0.02306    0.01102   -0.03952   -0.05267
 116 F1    PX       -0.43936   -0.06707    0.13851   -0.25838   -0.04537
 117 F1    PY       -0.06791   -0.41678    0.10878   -0.15532   -0.35596
 118 F1    PZ       -0.11892    0.18586    0.02853   -0.12669    0.13109
 119 F1    S'        0.23041   -0.02281   -0.06769    0.00434    0.03567
 120 F1    PX'       0.56400    0.12166   -0.15061    0.41209    0.04424
 121 F1    PY'       0.13682    0.54667   -0.14822    0.20445    0.58604
 122 F1    PZ'       0.15407   -0.22268   -0.08805    0.16926   -0.20722
 123 F1    DXX       0.07296    0.07481   -0.08429    0.01482   -0.05216
 124 F1    DYY      -0.08631   -0.14550    0.02437   -0.01563   -0.18982
 125 F1    DZZ      -0.05659    0.05280    0.08439   -0.05249    0.18186
 126 F1    DXY      -0.01143   -0.02116    0.03689   -0.08933    0.09235
 127 F1    DXZ      -0.08860   -0.04117   -0.00078   -0.02359    0.00038
 128 F1    DYZ      -0.00369   -0.11623   -0.02120   -0.08531   -0.16838
 129 F2    S1        0.00000    0.00000   -0.00157    0.01421    0.00272
 130 F2    S        -0.00000    0.00000   -0.00520    0.18481    0.02453
 131 F2    PX        0.00000   -0.00000   -0.57932    0.05201    0.05742
 132 F2    PY       -0.00000   -0.00000    0.23994   -0.14452   -0.09881
 133 F2    PZ        0.12004   -0.53741    0.00000    0.00000    0.00000
 134 F2    S'        0.00000    0.00000   -0.02665   -0.44697    0.08799
 135 F2    PX'      -0.00000    0.00000    0.82014    0.00160   -0.01561
 136 F2    PY'       0.00000    0.00000   -0.32481    0.31684    0.18958
 137 F2    PZ'      -0.23933    0.70272   -0.00000   -0.00000   -0.00000
 138 F2    DXX      -0.00000    0.00000    0.15832   -0.10732    0.05533
 139 F2    DYY       0.00000    0.00000   -0.15130    0.17871    0.00955
 140 F2    DZZ       0.00000    0.00000   -0.02691    0.14706   -0.04107
 141 F2    DXY      -0.00000    0.00000    0.17325    0.00202    0.13329
 142 F2    DXZ      -0.03610   -0.00688    0.00000    0.00000   -0.00000
 143 F2    DYZ      -0.06071    0.07783   -0.00000   -0.00000   -0.00000
 144 F3    S1        0.00778   -0.00069    0.00390   -0.00264   -0.00307
 145 F3    S         0.02813    0.02306    0.01102   -0.03952   -0.05267
 146 F3    PX        0.43936    0.06707    0.13851   -0.25838   -0.04537
 147 F3    PY        0.06791    0.41678    0.10878   -0.15532   -0.35596
 148 F3    PZ       -0.11892    0.18586   -0.02853    0.12669   -0.13109
 149 F3    S'       -0.23041    0.02281   -0.06769    0.00434    0.03567
 150 F3    PX'      -0.56400   -0.12166   -0.15061    0.41209    0.04424
 151 F3    PY'      -0.13682   -0.54667   -0.14822    0.20445    0.58604
 152 F3    PZ'       0.15407   -0.22268    0.08805   -0.16926    0.20722
 153 F3    DXX      -0.07296   -0.07481   -0.08429    0.01482   -0.05216
 154 F3    DYY       0.08631    0.14550    0.02437   -0.01563   -0.18982
 155 F3    DZZ       0.05659   -0.05280    0.08439   -0.05249    0.18186
 156 F3    DXY       0.01143    0.02116    0.03689   -0.08933    0.09235
 157 F3    DXZ      -0.08860   -0.04117    0.00078    0.02359   -0.00038
 158 F3    DYZ      -0.00369   -0.11623    0.02120    0.08531    0.16838
 159 Br1   S         0.00000    0.00000   -0.00542   -0.00875    0.00028
 160 Br1   S         0.00000    0.00000   -0.02526   -0.03944    0.00154
 161 Br1   PX       -0.00000    0.00000    0.01897    0.02776   -0.00099
 162 Br1   PY        0.00000    0.00000    0.00019    0.00038   -0.00056
 163 Br1   PZ       -0.00669   -0.00174    0.00000    0.00000    0.00000
 164 Br1   S        -0.00000    0.00000    0.03757    0.06334   -0.00125
 165 Br1   PX        0.00000   -0.00000   -0.06786   -0.09923    0.00351
 166 Br1   PY        0.00000    0.00000   -0.00067   -0.00133    0.00202
 167 Br1   PZ        0.02357    0.00618    0.00000    0.00000    0.00000
 168 Br1   S         0.00000   -0.00000   -0.48498   -0.79605    0.02876
 169 Br1   PX       -0.00000    0.00000    0.35139    0.51284   -0.01858
 170 Br1   PY        0.00000    0.00000    0.00217    0.00498   -0.01161
 171 Br1   PZ       -0.09278   -0.02815   -0.00000   -0.00000    0.00000
 172 Br1   S        -0.00000    0.00000    0.57032    0.85545   -0.03312
 173 Br1   PX       -0.00000    0.00000    0.25674    0.37487   -0.01225
 174 Br1   PY        0.00000    0.00000   -0.00871   -0.01283    0.03186
 175 Br1   PZ       -0.05901   -0.00651   -0.00000   -0.00000    0.00000
 176 Br1   DXX       0.00000    0.00000   -0.02292   -0.03471    0.00129
 177 Br1   DYY       0.00000    0.00000   -0.00206   -0.00238   -0.00051
 178 Br1   DZZ       0.00000    0.00000    0.00802    0.00975    0.00027
 179 Br1   DXY       0.00000    0.00000    0.00099    0.00197   -0.00923
 180 Br1   DXZ       0.02937    0.00320    0.00000    0.00000    0.00000
 181 Br1   DYZ       0.00015   -0.00018    0.00000    0.00000    0.00000
 182 Br1   DXX       0.00000    0.00000   -0.03344   -0.05695    0.00134
 183 Br1   DYY       0.00000    0.00000   -0.02135   -0.04009    0.00102
 184 Br1   DZZ       0.00000    0.00000   -0.02198   -0.04111    0.00105
 185 Br1   DXY       0.00000    0.00000   -0.00003   -0.00021    0.00083
 186 Br1   DXZ       0.00472    0.00127    0.00000    0.00000    0.00000
 187 Br1   DYZ      -0.00015    0.00001    0.00000    0.00000    0.00000
 188 Br1   DXX      -0.00000    0.00000    0.05079    0.03137   -0.00019
 189 Br1   DYY       0.00000   -0.00000   -0.17954   -0.30754    0.01097
 190 Br1   DZZ       0.00000   -0.00000   -0.21683   -0.35131    0.00741
 191 Br1   DXY       0.00000    0.00000   -0.00426   -0.00682    0.03221
 192 Br1   DXZ      -0.16317   -0.02627   -0.00000   -0.00000    0.00000
 193 Br1   DYZ       0.00050    0.00074    0.00000    0.00000    0.00000
  MO:                 121        122        123        124        125    
  Eigenvalues:       1.37838    1.40237    1.42457    1.43372    1.44270
          (ev)      37.50757   38.16058   38.76446   39.01363   39.25800

                       A"         A'         A'         A"         A"     
   1 *C1   S1        0.00000   -0.01823    0.00751    0.00000    0.00000
   2 *C1   S         0.00000   -0.20308    0.07908   -0.00000   -0.00000
   3 *C1   PX       -0.00000   -0.20710    0.10018   -0.00000    0.00000
   4 *C1   PY        0.00000    0.01637    0.02182   -0.00000    0.00000
   5 *C1   PZ       -0.00621    0.00000    0.00000    0.07361    0.14097
   6 *C1   S'       -0.00000    1.40062   -0.16305    0.00000    0.00000
   7 *C1   PX'      -0.00000    1.84885   -0.65743    0.00000    0.00000
   8 *C1   PY'      -0.00000   -0.01973   -0.08998    0.00000    0.00000
   9 *C1   PZ'      -0.16388    0.00000   -0.00000    0.18633    0.60230
  10 *C1   DXX       0.00000   -0.02252    0.01791    0.00000    0.00000
  11 *C1   DYY       0.00000    0.00741   -0.01424    0.00000    0.00000
  12 *C1   DZZ      -0.00000    0.00541    0.00897    0.00000   -0.00000
  13 *C1   DXY       0.00000    0.15661    0.16885   -0.00000    0.00000
  14 *C1   DXZ       0.00222    0.00000    0.00000    0.02918    0.07679
  15 *C1   DYZ       0.06595    0.00000   -0.00000   -0.38824    0.24600
  16 *C4   S1        0.00000   -0.00820    0.01068    0.00000    0.00000
  17 *C4   S        -0.00000   -0.24986    0.31350   -0.00000    0.00000
  18 *C4   PX        0.00000    0.22760   -0.05135    0.00000   -0.00000
  19 *C4   PY        0.00000    0.06940    0.02806   -0.00000    0.00000
  20 *C4   PZ        0.00170    0.00000   -0.00000   -0.11916   -0.15908
  21 *C4   S'        0.00000    1.65281   -2.39573    0.00000   -0.00000
  22 *C4   PX'      -0.00000   -2.18988    0.63958   -0.00000    0.00000
  23 *C4   PY'       0.00000   -0.10228   -0.08314    0.00000   -0.00000
  24 *C4   PZ'       0.20517   -0.00000    0.00000    0.50779   -0.05537
  25 *C4   DXX      -0.00000    0.07753   -0.10580    0.00000    0.00000
  26 *C4   DYY       0.00000   -0.04177    0.04683   -0.00000    0.00000
  27 *C4   DZZ      -0.00000   -0.05079    0.07938    0.00000    0.00000
  28 *C4   DXY       0.00000   -0.00895   -0.04483    0.00000    0.00000
  29 *C4   DXZ       0.01009    0.00000    0.00000    0.01479    0.03155
  30 *C4   DYZ      -0.04815    0.00000    0.00000    0.38984   -0.20216
  31 C2    S1        0.00073    0.01040   -0.00091   -0.01364   -0.02801
  32 C2    S        -0.02730    0.27259   -0.13446   -0.27387   -0.58116
  33 C2    PX       -0.03594    0.19060   -0.12356   -0.00589   -0.01196
  34 C2    PY        0.01201   -0.06086   -0.06631   -0.07559    0.05399
  35 C2    PZ        0.00685    0.00060    0.00394   -0.06416   -0.15222
  36 C2    S'       -0.08987   -0.97032    0.36941    1.45028    2.89446
  37 C2    PX'       0.10154   -0.66042    0.37147    0.69362    1.24478
  38 C2    PY'       0.00819   -0.02204    0.06396   -0.07791    0.04978
  39 C2    PZ'      -0.18854   -0.77760    0.01636    0.94524    2.17284
  40 C2    DXX      -0.00253    0.05204   -0.01130    0.00091    0.00307
  41 C2    DYY       0.00300   -0.03337    0.01164    0.01576    0.02540
  42 C2    DZZ      -0.00692   -0.01026   -0.00923   -0.02679   -0.04769
  43 C2    DXY       0.02260    0.26747    0.21677   -0.07060    0.00897
  44 C2    DXZ      -0.00349   -0.00278   -0.00584    0.01524    0.03260
  45 C2    DYZ      -0.04193    0.15969    0.15861    0.25303   -0.19914
  46 *C2   S1       -0.00073    0.01040   -0.00091    0.01364    0.02801
  47 *C2   S         0.02730    0.27259   -0.13446    0.27387    0.58116
  48 *C2   PX        0.03594    0.19060   -0.12356    0.00589    0.01196
  49 *C2   PY       -0.01201   -0.06086   -0.06631    0.07559   -0.05399
  50 *C2   PZ        0.00685   -0.00060   -0.00394   -0.06416   -0.15222
  51 *C2   S'        0.08987   -0.97032    0.36941   -1.45028   -2.89446
  52 *C2   PX'      -0.10154   -0.66042    0.37147   -0.69362   -1.24478
  53 *C2   PY'      -0.00819   -0.02204    0.06396    0.07791   -0.04978
  54 *C2   PZ'      -0.18854    0.77760   -0.01636    0.94524    2.17284
  55 *C2   DXX       0.00253    0.05204   -0.01130   -0.00091   -0.00307
  56 *C2   DYY      -0.00300   -0.03337    0.01164   -0.01576   -0.02540
  57 *C2   DZZ       0.00692   -0.01026   -0.00923    0.02679    0.04769
  58 *C2   DXY      -0.02260    0.26747    0.21677    0.07060   -0.00897
  59 *C2   DXZ      -0.00349    0.00278    0.00584    0.01524    0.03260
  60 *C2   DYZ      -0.04193   -0.15969   -0.15861    0.25303   -0.19914
  61 *C3   S1       -0.00182    0.00430   -0.00167   -0.01014   -0.02539
  62 *C3   S        -0.02603    0.11814   -0.09168   -0.30387   -0.61872
  63 *C3   PX        0.00161   -0.03562   -0.04105    0.02338    0.04807
  64 *C3   PY        0.01446   -0.05013   -0.01040   -0.07414    0.00546
  65 *C3   PZ       -0.05312    0.01038    0.04576    0.10222    0.21336
  66 *C3   S'        0.07253   -0.51261    0.40243    0.95736    2.47370
  67 *C3   PX'       0.07653    0.33854    0.05281   -1.00442   -1.57768
  68 *C3   PY'       0.00780    0.03073   -0.06487   -0.05852    0.11500
  69 *C3   PZ'       0.34365    0.97602   -0.86166   -0.87710   -2.18206
  70 *C3   DXX      -0.01649    0.01731    0.01377   -0.01231   -0.03142
  71 *C3   DYY      -0.00003   -0.02336    0.02390    0.00031    0.01111
  72 *C3   DZZ       0.01053   -0.00365   -0.03231    0.00626    0.00695
  73 *C3   DXY      -0.00003   -0.25951   -0.19909    0.07227   -0.07567
  74 *C3   DXZ       0.00075    0.02121   -0.03646    0.02987    0.05197
  75 *C3   DYZ       0.01496   -0.07969   -0.11393   -0.24243    0.09061
  76 C3    S1        0.00182    0.00430   -0.00167    0.01014    0.02539
  77 C3    S         0.02603    0.11814   -0.09168    0.30387    0.61872
  78 C3    PX       -0.00161   -0.03562   -0.04105   -0.02338   -0.04807
  79 C3    PY       -0.01446   -0.05013   -0.01040    0.07414   -0.00546
  80 C3    PZ       -0.05312   -0.01038   -0.04576    0.10222    0.21336
  81 C3    S'       -0.07253   -0.51261    0.40243   -0.95736   -2.47370
  82 C3    PX'      -0.07653    0.33854    0.05281    1.00442    1.57768
  83 C3    PY'      -0.00780    0.03073   -0.06487    0.05852   -0.11500
  84 C3    PZ'       0.34365   -0.97602    0.86166   -0.87710   -2.18206
  85 C3    DXX       0.01649    0.01731    0.01377    0.01231    0.03142
  86 C3    DYY       0.00003   -0.02336    0.02390   -0.00031   -0.01111
  87 C3    DZZ      -0.01053   -0.00365   -0.03231   -0.00626   -0.00695
  88 C3    DXY       0.00003   -0.25951   -0.19909   -0.07227    0.07567
  89 C3    DXZ       0.00075   -0.02121    0.03646    0.02987    0.05197
  90 C3    DYZ       0.01496    0.07969    0.11393   -0.24243    0.09061
  91 H2    S        -0.00907   -0.12385    0.01681    0.17239    0.36961
  92 H2    S'       -0.04459   -0.33298    0.07003    0.29222    0.64689
  93 *H2   S         0.00907   -0.12385    0.01681   -0.17239   -0.36961
  94 *H2   S'        0.04459   -0.33298    0.07003   -0.29222   -0.64689
  95 *H3   S        -0.02202   -0.19558    0.08929    0.24374    0.44814
  96 *H3   S'       -0.22526   -0.37410    0.34805    0.28797    0.67140
  97 H3    S         0.02202   -0.19558    0.08929   -0.24374   -0.44814
  98 H3    S'        0.22526   -0.37410    0.34805   -0.28797   -0.67140
  99 C7    S1        0.00000   -0.00172   -0.01443    0.00000    0.00000
 100 C7    S         0.00000    0.08519   -0.14799    0.00000   -0.00000
 101 C7    PX        0.00000   -0.23568    0.16732   -0.00000    0.00000
 102 C7    PY        0.00000   -0.09350   -0.07914    0.00000    0.00000
 103 C7    PZ        0.22414   -0.00000    0.00000   -0.00860   -0.09322
 104 C7    S'        0.00000    0.77937    0.38712   -0.00000   -0.00000
 105 C7    PX'      -0.00000    0.13732   -0.87019    0.00000    0.00000
 106 C7    PY'      -0.00000    0.09950    0.24052   -0.00000    0.00000
 107 C7    PZ'      -0.58185    0.00000   -0.00000    0.02043    0.14686
 108 C7    DXX      -0.00000    0.18254   -0.22359    0.00000    0.00000
 109 C7    DYY       0.00000   -0.16798    0.01098    0.00000    0.00000
 110 C7    DZZ      -0.00000   -0.01314    0.19637   -0.00000   -0.00000
 111 C7    DXY      -0.00000   -0.00239   -0.01835    0.00000   -0.00000
 112 C7    DXZ      -0.08797   -0.00000    0.00000    0.05377    0.07211
 113 C7    DYZ      -0.32575    0.00000    0.00000    0.07426    0.07258
 114 F1    S1       -0.00760   -0.00087    0.00250   -0.00599    0.00652
 115 F1    S        -0.08694    0.01317    0.01427   -0.09714    0.08426
 116 F1    PX       -0.13427    0.18436   -0.25421   -0.09895   -0.16717
 117 F1    PY        0.12542    0.12053    0.05661    0.01156    0.04336
 118 F1    PZ       -0.26818    0.02294   -0.18336   -0.18746   -0.11174
 119 F1    S'        0.05261   -0.05924    0.03742    0.20352   -0.15059
 120 F1    PX'       0.13414   -0.33220    0.48870    0.13692    0.25672
 121 F1    PY'      -0.17908   -0.20114   -0.11874   -0.00677   -0.05339
 122 F1    PZ'       0.47307   -0.05190    0.25782    0.26242    0.13788
 123 F1    DXX      -0.02632   -0.06486    0.03990    0.05041    0.13000
 124 F1    DYY       0.11375    0.06147    0.06202   -0.04980   -0.01396
 125 F1    DZZ      -0.18810    0.00555   -0.08598   -0.12171   -0.00035
 126 F1    DXY      -0.00240    0.01827   -0.13692   -0.00837   -0.05252
 127 F1    DXZ       0.08961    0.09677   -0.09986   -0.01928   -0.02111
 128 F1    DYZ       0.02333    0.07932   -0.02383   -0.01169    0.00484
 129 F2    S1        0.00000   -0.01278   -0.00028    0.00000    0.00000
 130 F2    S         0.00000   -0.11139   -0.04658    0.00000    0.00000
 131 F2    PX        0.00000    0.17709   -0.24556    0.00000    0.00000
 132 F2    PY       -0.00000   -0.02395    0.11126   -0.00000    0.00000
 133 F2    PZ       -0.47443    0.00000    0.00000    0.02717    0.10776
 134 F2    S'        0.00000    0.19549    0.04705    0.00000    0.00000
 135 F2    PX'       0.00000   -0.35784    0.45807   -0.00000   -0.00000
 136 F2    PY'       0.00000   -0.03131   -0.19880    0.00000    0.00000
 137 F2    PZ'       0.76324   -0.00000   -0.00000   -0.05230   -0.18041
 138 F2    DXX       0.00000   -0.09931    0.01105    0.00000    0.00000
 139 F2    DYY      -0.00000   -0.03424   -0.12781    0.00000    0.00000
 140 F2    DZZ      -0.00000   -0.02302    0.08083   -0.00000    0.00000
 141 F2    DXY       0.00000   -0.13232    0.13259   -0.00000    0.00000
 142 F2    DXZ       0.07099    0.00000   -0.00000   -0.06745   -0.02288
 143 F2    DYZ       0.31845   -0.00000   -0.00000   -0.02457   -0.11868
 144 F3    S1        0.00760   -0.00087    0.00250    0.00599   -0.00652
 145 F3    S         0.08694    0.01317    0.01427    0.09714   -0.08426
 146 F3    PX        0.13427    0.18436   -0.25421    0.09895    0.16717
 147 F3    PY       -0.12542    0.12053    0.05661   -0.01156   -0.04336
 148 F3    PZ       -0.26818   -0.02294    0.18336   -0.18746   -0.11174
 149 F3    S'       -0.05261   -0.05924    0.03742   -0.20352    0.15059
 150 F3    PX'      -0.13414   -0.33220    0.48870   -0.13692   -0.25672
 151 F3    PY'       0.17908   -0.20114   -0.11874    0.00677    0.05339
 152 F3    PZ'       0.47307    0.05190   -0.25782    0.26242    0.13788
 153 F3    DXX       0.02632   -0.06486    0.03990   -0.05041   -0.13000
 154 F3    DYY      -0.11375    0.06147    0.06202    0.04980    0.01396
 155 F3    DZZ       0.18810    0.00555   -0.08598    0.12171    0.00035
 156 F3    DXY       0.00240    0.01827   -0.13692    0.00837    0.05252
 157 F3    DXZ       0.08961   -0.09677    0.09986   -0.01928   -0.02111
 158 F3    DYZ       0.02333   -0.07932    0.02383   -0.01169    0.00484
 159 Br1   S         0.00000   -0.00560    0.00255    0.00000    0.00000
 160 Br1   S         0.00000   -0.02544    0.01195    0.00000    0.00000
 161 Br1   PX        0.00000    0.01552   -0.00662    0.00000    0.00000
 162 Br1   PY        0.00000   -0.00106    0.00015    0.00000    0.00000
 163 Br1   PZ        0.00075    0.00000    0.00000   -0.00033   -0.00136
 164 Br1   S         0.00000    0.03951   -0.01713    0.00000   -0.00000
 165 Br1   PX        0.00000   -0.05552    0.02372    0.00000    0.00000
 166 Br1   PY        0.00000    0.00384   -0.00037    0.00000    0.00000
 167 Br1   PZ       -0.00265    0.00000    0.00000    0.00112    0.00469
 168 Br1   S         0.00000   -0.52869    0.24627   -0.00000    0.00000
 169 Br1   PX        0.00000    0.29048   -0.12597    0.00000   -0.00000
 170 Br1   PY       -0.00000   -0.02231   -0.00637    0.00000    0.00000
 171 Br1   PZ        0.01233    0.00000    0.00000   -0.00034   -0.01238
 172 Br1   S         0.00000    0.43794   -0.15403    0.00000   -0.00000
 173 Br1   PX        0.00000    0.17449   -0.05290    0.00000   -0.00000
 174 Br1   PY        0.00000    0.04649    0.05199   -0.00000    0.00000
 175 Br1   PZ       -0.00868    0.00000    0.00000   -0.05255   -0.10517
 176 Br1   DXX       0.00000   -0.01849    0.00640    0.00000    0.00000
 177 Br1   DYY       0.00000   -0.00457    0.00476    0.00000    0.00000
 178 Br1   DZZ       0.00000    0.00491   -0.00261    0.00000    0.00000
 179 Br1   DXY      -0.00000   -0.01502   -0.01972    0.00000    0.00000
 180 Br1   DXZ       0.00026    0.00000    0.00000    0.00911    0.01905
 181 Br1   DYZ       0.00115    0.00000    0.00000   -0.00603    0.00318
 182 Br1   DXX       0.00000   -0.03696    0.01663    0.00000    0.00000
 183 Br1   DYY       0.00000   -0.02779    0.01230    0.00000    0.00000
 184 Br1   DZZ       0.00000   -0.02860    0.01286    0.00000    0.00000
 185 Br1   DXY       0.00000    0.00183    0.00193    0.00000    0.00000
 186 Br1   DXZ      -0.00043    0.00000    0.00000   -0.00027   -0.00020
 187 Br1   DYZ      -0.00021    0.00000    0.00000    0.00129   -0.00075
 188 Br1   DXX       0.00000   -0.01914    0.01766   -0.00000    0.00000
 189 Br1   DYY       0.00000   -0.18909    0.07503   -0.00000    0.00000
 190 Br1   DZZ       0.00000   -0.22430    0.10324   -0.00000    0.00000
 191 Br1   DXY       0.00000    0.04888    0.07088   -0.00000    0.00000
 192 Br1   DXZ       0.00295    0.00000    0.00000   -0.04061   -0.08955
 193 Br1   DYZ      -0.00341    0.00000    0.00000    0.01733   -0.00862
  MO:                 126        127        128        129        130    
  Eigenvalues:       1.47614    1.51746    1.53819    1.64469    1.65565
          (ev)      40.16773   41.29230   41.85634   44.75425   45.05250

                       A"         A'         A"         A'         A"     
   1 *C1   S1        0.00000    0.00044    0.00000    0.00418    0.00000
   2 *C1   S        -0.00000    0.00697    0.00000   -0.01242    0.00000
   3 *C1   PX       -0.00000    0.00361    0.00000    0.01415    0.00000
   4 *C1   PY        0.00000   -0.05865    0.00000   -0.00167    0.00000
   5 *C1   PZ        0.01484   -0.00000    0.02952    0.00000    0.03538
   6 *C1   S'        0.00000   -0.10039   -0.00000   -0.94033   -0.00000
   7 *C1   PX'       0.00000   -0.07215   -0.00000   -0.62623   -0.00000
   8 *C1   PY'      -0.00000   -0.37844    0.00000   -0.00201    0.00000
   9 *C1   PZ'       0.29295   -0.00000   -1.34132   -0.00000   -0.60947
  10 *C1   DXX       0.00000    0.01132    0.00000    0.11425    0.00000
  11 *C1   DYY      -0.00000   -0.01240    0.00000   -0.13614    0.00000
  12 *C1   DZZ       0.00000   -0.00069    0.00000    0.00122   -0.00000
  13 *C1   DXY       0.00000    0.62712   -0.00000    0.11452   -0.00000
  14 *C1   DXZ       0.01467    0.00000   -0.06200   -0.00000   -0.03077
  15 *C1   DYZ      -0.08174   -0.00000    0.05217    0.00000   -0.03422
  16 *C4   S1        0.00000    0.00093    0.00000   -0.02715    0.00000
  17 *C4   S         0.00000   -0.01985   -0.00000   -0.41547   -0.00000
  18 *C4   PX        0.00000   -0.01634    0.00000    0.02281    0.00000
  19 *C4   PY        0.00000    0.00923    0.00000   -0.03286    0.00000
  20 *C4   PZ        0.01695   -0.00000   -0.32287    0.00000   -0.15426
  21 *C4   S'       -0.00000    0.11918    0.00000    2.24409    0.00000
  22 *C4   PX'       0.00000   -0.00953   -0.00000   -0.54960   -0.00000
  23 *C4   PY'      -0.00000   -0.18979    0.00000    0.61092   -0.00000
  24 *C4   PZ'      -0.60207    0.00000    5.27606    0.00000    2.61387
  25 *C4   DXX       0.00000    0.01747    0.00000   -0.04557   -0.00000
  26 *C4   DYY      -0.00000   -0.00744   -0.00000   -0.10947    0.00000
  27 *C4   DZZ       0.00000   -0.01246    0.00000    0.12220   -0.00000
  28 *C4   DXY       0.00000    0.02546    0.00000    0.44081   -0.00000
  29 *C4   DXZ       0.01007   -0.00000   -0.05622    0.00000    0.02421
  30 *C4   DYZ      -0.14177    0.00000   -0.05897    0.00000    0.03270
  31 C2    S1       -0.00630   -0.00103    0.01805   -0.00992    0.00598
  32 C2    S        -0.13207   -0.00615    0.45497   -0.17847    0.15521
  33 C2    PX       -0.00713    0.00411    0.06790   -0.01663    0.02551
  34 C2    PY       -0.11088   -0.04363    0.00622   -0.02944   -0.02717
  35 C2    PZ       -0.02675   -0.00083    0.09024   -0.03601    0.03161
  36 C2    S'        0.65251    0.07571   -1.73739    0.84485   -0.58447
  37 C2    PX'       0.14947    0.01899   -0.02846    0.06999    0.10239
  38 C2    PY'       0.05927    0.18982    0.00204    0.07417    0.05096
  39 C2    PZ'       0.48107    0.06050   -1.51146    0.58587   -0.53782
  40 C2    DXX       0.00754   -0.00487   -0.01239    0.04360   -0.01418
  41 C2    DYY       0.00165    0.00424   -0.01755   -0.10896   -0.00682
  42 C2    DZZ      -0.01424    0.00147    0.04387    0.04937    0.02073
  43 C2    DXY       0.28385   -0.18532    0.03284    0.10841    0.01004
  44 C2    DXZ       0.00748    0.00498   -0.03297    0.03343   -0.02290
  45 C2    DYZ       0.33071    0.35040    0.00529    0.01934    0.00395
  46 *C2   S1        0.00630   -0.00103   -0.01805   -0.00992   -0.00598
  47 *C2   S         0.13207   -0.00615   -0.45497   -0.17847   -0.15521
  48 *C2   PX        0.00713    0.00411   -0.06790   -0.01663   -0.02551
  49 *C2   PY        0.11088   -0.04363   -0.00622   -0.02944    0.02717
  50 *C2   PZ       -0.02675    0.00083    0.09024    0.03601    0.03161
  51 *C2   S'       -0.65251    0.07571    1.73739    0.84485    0.58447
  52 *C2   PX'      -0.14947    0.01899    0.02846    0.06999   -0.10239
  53 *C2   PY'      -0.05927    0.18982   -0.00204    0.07417   -0.05096
  54 *C2   PZ'       0.48107   -0.06050   -1.51146   -0.58587   -0.53782
  55 *C2   DXX      -0.00754   -0.00487    0.01239    0.04360    0.01418
  56 *C2   DYY      -0.00165    0.00424    0.01755   -0.10896    0.00682
  57 *C2   DZZ       0.01424    0.00147   -0.04387    0.04937   -0.02073
  58 *C2   DXY      -0.28385   -0.18532   -0.03284    0.10841   -0.01004
  59 *C2   DXZ       0.00748   -0.00498   -0.03297   -0.03343   -0.02290
  60 *C2   DYZ       0.33071   -0.35040    0.00529   -0.01934    0.00395
  61 *C3   S1       -0.00745    0.00023    0.03590    0.00597    0.01097
  62 *C3   S        -0.13234    0.01270    0.37406    0.14464    0.14099
  63 *C3   PX        0.02716    0.00981   -0.13314    0.01857   -0.03552
  64 *C3   PY        0.11528    0.05342    0.03996    0.04312   -0.06363
  65 *C3   PZ        0.03568   -0.00410    0.00499    0.01396    0.01503
  66 *C3   S'        0.82215   -0.06592   -4.32668   -1.12487   -1.88349
  67 *C3   PX'      -0.12800    0.00583   -1.01373   -0.10925   -0.60789
  68 *C3   PY'      -0.03296    0.00348   -0.01382   -0.25917    0.12761
  69 *C3   PZ'      -0.56160    0.05405    2.07420    0.71872    0.80640
  70 *C3   DXX      -0.00698    0.00024    0.07593    0.03778    0.03928
  71 *C3   DYY      -0.00154   -0.00695   -0.04548   -0.12944   -0.03491
  72 *C3   DZZ       0.00753    0.00754   -0.02581    0.03663   -0.00948
  73 *C3   DXY       0.27517    0.24531   -0.00417   -0.05220    0.04575
  74 *C3   DXZ       0.01080    0.00596    0.04502   -0.01287    0.02595
  75 *C3   DYZ       0.36785   -0.01512    0.10925    0.31267   -0.06509
  76 C3    S1        0.00745    0.00023   -0.03590    0.00597   -0.01097
  77 C3    S         0.13234    0.01270   -0.37406    0.14464   -0.14099
  78 C3    PX       -0.02716    0.00981    0.13314    0.01857    0.03552
  79 C3    PY       -0.11528    0.05342   -0.03996    0.04312    0.06363
  80 C3    PZ        0.03568    0.00410    0.00499   -0.01396    0.01503
  81 C3    S'       -0.82215   -0.06592    4.32668   -1.12487    1.88349
  82 C3    PX'       0.12800    0.00583    1.01373   -0.10925    0.60789
  83 C3    PY'       0.03296    0.00348    0.01382   -0.25917   -0.12761
  84 C3    PZ'      -0.56160   -0.05405    2.07420   -0.71872    0.80640
  85 C3    DXX       0.00698    0.00024   -0.07593    0.03778   -0.03928
  86 C3    DYY       0.00154   -0.00695    0.04548   -0.12944    0.03491
  87 C3    DZZ      -0.00753    0.00754    0.02581    0.03663    0.00948
  88 C3    DXY      -0.27517    0.24531    0.00417   -0.05220   -0.04575
  89 C3    DXZ       0.01080   -0.00596    0.04502    0.01287    0.02595
  90 C3    DYZ       0.36785    0.01512    0.10925   -0.31267   -0.06509
  91 H2    S         0.06471    0.00377   -0.14658   -0.03371   -0.03328
  92 H2    S'        0.11224    0.01606   -0.27087    0.12217   -0.07556
  93 *H2   S        -0.06471    0.00377    0.14658   -0.03371    0.03328
  94 *H2   S'       -0.11224    0.01606    0.27087    0.12217    0.07556
  95 *H3   S         0.06224   -0.00859    0.03429   -0.00818    0.03232
  96 *H3   S'        0.12679   -0.01564   -0.14748   -0.12952    0.02796
  97 H3    S        -0.06224   -0.00859   -0.03429   -0.00818   -0.03232
  98 H3    S'       -0.12679   -0.01564    0.14748   -0.12952   -0.02796
  99 C7    S1        0.00000    0.00009    0.00000    0.00033    0.00000
 100 C7    S        -0.00000   -0.00861    0.00000   -0.04152    0.00000
 101 C7    PX        0.00000   -0.00116    0.00000    0.06150   -0.00000
 102 C7    PY       -0.00000   -0.00432    0.00000    0.02141    0.00000
 103 C7    PZ       -0.01456    0.00000    0.01563   -0.00000   -0.01675
 104 C7    S'        0.00000    0.05046   -0.00000   -0.01473    0.00000
 105 C7    PX'      -0.00000    0.04269    0.00000    0.10596    0.00000
 106 C7    PY'       0.00000    0.13984   -0.00000   -0.28695    0.00000
 107 C7    PZ'       0.22794   -0.00000   -1.56047   -0.00000   -1.46789
 108 C7    DXX       0.00000    0.02956    0.00000   -0.02001    0.00000
 109 C7    DYY       0.00000    0.00556   -0.00000   -0.12593    0.00000
 110 C7    DZZ       0.00000   -0.03007    0.00000    0.15247   -0.00000
 111 C7    DXY       0.00000   -0.01929    0.00000    0.11579   -0.00000
 112 C7    DXZ      -0.02122    0.00000    0.35048    0.00000    0.19636
 113 C7    DYZ      -0.03555    0.00000    0.27269   -0.00000   -0.10768
 114 F1    S1       -0.00272    0.00033    0.01176    0.00203    0.04069
 115 F1    S         0.00249    0.01087   -0.04785   -0.16353    0.71738
 116 F1    PX       -0.05170    0.00019    0.18814    0.09632   -0.09548
 117 F1    PY       -0.00087    0.01543    0.05662   -0.10855    0.15561
 118 F1    PZ        0.02193    0.01010   -0.26306   -0.03550    0.13173
 119 F1    S'        0.07051   -0.01273   -0.36730    0.18676   -1.78089
 120 F1    PX'       0.06108   -0.01055   -0.20348   -0.11604    0.20343
 121 F1    PY'       0.01846   -0.03164   -0.16773    0.15479   -0.34935
 122 F1    PZ'      -0.01949   -0.00851    0.33865    0.02245   -0.21418
 123 F1    DXX      -0.00516    0.00167    0.14407    0.15245    0.18859
 124 F1    DYY      -0.00835   -0.01208   -0.01505   -0.06673    0.29761
 125 F1    DZZ       0.00411    0.02399   -0.12224   -0.20293    0.31778
 126 F1    DXY      -0.01273    0.01768   -0.02096   -0.05850   -0.39816
 127 F1    DXZ       0.00799    0.01620   -0.08860   -0.00405   -0.04158
 128 F1    DYZ       0.01833    0.01051   -0.19444   -0.02289   -0.12102
 129 F2    S1        0.00000    0.00517    0.00000    0.00565    0.00000
 130 F2    S        -0.00000    0.04733    0.00000    0.38321   -0.00000
 131 F2    PX        0.00000    0.03594   -0.00000   -0.17642    0.00000
 132 F2    PY        0.00000   -0.01097   -0.00000   -0.18586    0.00000
 133 F2    PZ        0.02288   -0.00000   -0.13752   -0.00000   -0.08274
 134 F2    S'        0.00000   -0.16750    0.00000   -0.56710    0.00000
 135 F2    PX'      -0.00000   -0.04285    0.00000    0.20542   -0.00000
 136 F2    PY'       0.00000    0.03887    0.00000    0.26612   -0.00000
 137 F2    PZ'      -0.05143    0.00000    0.29961    0.00000    0.30014
 138 F2    DXX      -0.00000    0.02191    0.00000    0.04966    0.00000
 139 F2    DYY      -0.00000    0.02117    0.00000    0.36718   -0.00000
 140 F2    DZZ       0.00000    0.02266   -0.00000   -0.07872    0.00000
 141 F2    DXY       0.00000   -0.00684    0.00000   -0.09283    0.00000
 142 F2    DXZ       0.02541   -0.00000   -0.20454    0.00000    0.46471
 143 F2    DYZ       0.00454   -0.00000   -0.18325   -0.00000   -0.16526
 144 F3    S1        0.00272    0.00033   -0.01176    0.00203   -0.04069
 145 F3    S        -0.00249    0.01087    0.04785   -0.16353   -0.71738
 146 F3    PX        0.05170    0.00019   -0.18814    0.09632    0.09548
 147 F3    PY        0.00087    0.01543   -0.05662   -0.10855   -0.15561
 148 F3    PZ        0.02193   -0.01010   -0.26306    0.03550    0.13173
 149 F3    S'       -0.07051   -0.01273    0.36730    0.18676    1.78089
 150 F3    PX'      -0.06108   -0.01055    0.20348   -0.11604   -0.20343
 151 F3    PY'      -0.01846   -0.03164    0.16773    0.15479    0.34935
 152 F3    PZ'      -0.01949    0.00851    0.33865   -0.02245   -0.21418
 153 F3    DXX       0.00516    0.00167   -0.14407    0.15245   -0.18859
 154 F3    DYY       0.00835   -0.01208    0.01505   -0.06673   -0.29761
 155 F3    DZZ      -0.00411    0.02399    0.12224   -0.20293   -0.31778
 156 F3    DXY       0.01273    0.01768    0.02096   -0.05850    0.39816
 157 F3    DXZ       0.00799   -0.01620   -0.08860    0.00405   -0.04158
 158 F3    DYZ       0.01833   -0.01051   -0.19444    0.02289   -0.12102
 159 Br1   S         0.00000    0.00025    0.00000    0.00813    0.00000
 160 Br1   S         0.00000    0.00086    0.00000    0.02254    0.00000
 161 Br1   PX        0.00000   -0.00034    0.00000   -0.00473    0.00000
 162 Br1   PY        0.00000    0.00533    0.00000    0.00088    0.00000
 163 Br1   PZ       -0.00095    0.00000    0.00418    0.00000    0.00189
 164 Br1   S         0.00000   -0.00236    0.00000   -0.09026    0.00000
 165 Br1   PX        0.00000    0.00120    0.00000    0.01659    0.00000
 166 Br1   PY        0.00000   -0.01797    0.00000   -0.00299    0.00000
 167 Br1   PZ        0.00333    0.00000   -0.01477    0.00000   -0.00670
 168 Br1   S        -0.00000    0.02426   -0.00000    0.76385    0.00000
 169 Br1   PX        0.00000   -0.00656    0.00000   -0.06248   -0.00000
 170 Br1   PY        0.00000    0.03467    0.00000    0.00788    0.00000
 171 Br1   PZ       -0.01252    0.00000    0.05936    0.00000    0.02787
 172 Br1   S         0.00000   -0.01983    0.00000   -0.41581   -0.00000
 173 Br1   PX        0.00000   -0.00718    0.00000   -0.15251    0.00000
 174 Br1   PY        0.00000    0.12477    0.00000    0.00196    0.00000
 175 Br1   PZ       -0.02656    0.00000    0.09494    0.00000    0.03736
 176 Br1   DXX       0.00000   -0.00036    0.00000    0.02453    0.00000
 177 Br1   DYY       0.00000    0.00105    0.00000   -0.00719    0.00000
 178 Br1   DZZ       0.00000    0.00005    0.00000    0.00283    0.00000
 179 Br1   DXY      -0.00000   -0.07770    0.00000   -0.00796    0.00000
 180 Br1   DXZ       0.00622    0.00000   -0.02317    0.00000   -0.00934
 181 Br1   DYZ      -0.00189    0.00000    0.00110    0.00000   -0.00163
 182 Br1   DXX       0.00000    0.00237    0.00000    0.07718    0.00000
 183 Br1   DYY       0.00000    0.00192    0.00000    0.07872    0.00000
 184 Br1   DZZ       0.00000    0.00207    0.00000    0.07608    0.00000
 185 Br1   DXY       0.00000    0.01146    0.00000    0.00175    0.00000
 186 Br1   DXZ       0.00016    0.00000   -0.00051    0.00000    0.00023
 187 Br1   DYZ       0.00029    0.00000   -0.00024    0.00000    0.00051
 188 Br1   DXX      -0.00000    0.00995   -0.00000    0.28179    0.00000
 189 Br1   DYY      -0.00000    0.00800   -0.00000    0.42995    0.00000
 190 Br1   DZZ      -0.00000    0.01142   -0.00000    0.39901    0.00000
 191 Br1   DXY       0.00000    0.26967   -0.00000    0.02495    0.00000
 192 Br1   DXZ      -0.03188    0.00000    0.12377    0.00000    0.05043
 193 Br1   DYZ       0.00631    0.00000   -0.00356    0.00000    0.00445
  MO:                 131        132        133        134        135    
  Eigenvalues:       1.66812    1.68761    1.72401    1.76178    1.77351
          (ev)      45.39190   45.92217   46.91266   47.94057   48.25960

                       A'         A'         A'         A"         A'     
   1 *C1   S1        0.01590    0.03096    0.00514    0.00000   -0.00108
   2 *C1   S         0.04957    0.23276   -0.02132    0.00000   -0.19417
   3 *C1   PX        0.01610    0.00727    0.00636    0.00000   -0.05322
   4 *C1   PY        0.00042   -0.00504    0.00549    0.00000   -0.00162
   5 *C1   PZ        0.00000   -0.00000    0.00000    0.26433    0.00000
   6 *C1   S'       -2.85099   -2.72492   -0.22478   -0.00000   -0.39866
   7 *C1   PX'      -1.60014   -1.26804    0.03684    0.00000   -0.40935
   8 *C1   PY'       0.02982    0.02323   -0.01995   -0.00000    0.00768
   9 *C1   PZ'       0.00000    0.00000    0.00000   -0.84603   -0.00000
  10 *C1   DXX       0.29562    0.16365    0.21326   -0.00000   -0.03107
  11 *C1   DYY      -0.23519    0.07811   -0.00915    0.00000   -0.28922
  12 *C1   DZZ      -0.08742   -0.17559   -0.15666   -0.00000    0.23413
  13 *C1   DXY      -0.07152    0.00787    0.02009    0.00000   -0.01776
  14 *C1   DXZ       0.00000    0.00000   -0.00000   -0.29627   -0.00000
  15 *C1   DYZ       0.00000    0.00000    0.00000    0.00704    0.00000
  16 *C4   S1       -0.03577   -0.03538    0.00154    0.00000   -0.00950
  17 *C4   S        -0.64623   -0.13126    0.07300    0.00000    0.02002
  18 *C4   PX        0.01936    0.22292   -0.03963    0.00000    0.15655
  19 *C4   PY        0.00624    0.01196   -0.00861    0.00000    0.00974
  20 *C4   PZ        0.00000    0.00000    0.00000    0.23485   -0.00000
  21 *C4   S'        4.34811    4.06382    0.02482   -0.00000    0.32841
  22 *C4   PX'      -3.00701   -1.92642   -2.02404    0.00000   -0.31207
  23 *C4   PY'      -0.34001   -0.00725    0.23949   -0.00000   -0.08232
  24 *C4   PZ'      -0.00000   -0.00000    0.00000   -0.95545    0.00000
  25 *C4   DXX       0.05113   -0.35253    0.09944    0.00000   -0.25626
  26 *C4   DYY      -0.12763    0.35641    0.03841    0.00000   -0.15753
  27 *C4   DZZ       0.04387    0.07982   -0.11801   -0.00000    0.32920
  28 *C4   DXY      -0.24993   -0.00281    0.10145   -0.00000   -0.03611
  29 *C4   DXZ       0.00000    0.00000    0.00000    0.36408    0.00000
  30 *C4   DYZ      -0.00000    0.00000    0.00000   -0.00452   -0.00000
  31 C2    S1       -0.03145   -0.01632   -0.00878    0.00108   -0.01107
  32 C2    S        -0.40959   -0.26670   -0.04762    0.02849   -0.39482
  33 C2    PX        0.01137   -0.06093    0.00192    0.17099   -0.09037
  34 C2    PY        0.01313    0.00423   -0.01077    0.00127    0.00548
  35 C2    PZ       -0.07136    0.00745   -0.00353   -0.10113   -0.04515
  36 C2    S'        3.24087    2.82347    1.26133   -0.41555    1.20441
  37 C2    PX'       0.62337    0.93663    0.30422    0.04693    0.56101
  38 C2    PY'      -0.04509   -0.02239    0.03717   -0.00751   -0.02198
  39 C2    PZ'       1.66208    1.41563    0.06769    0.01997    0.37635
  40 C2    DXX       0.04387   -0.06447   -0.04853   -0.20563    0.16554
  41 C2    DYY      -0.15622    0.16404    0.04853   -0.01839   -0.25044
  42 C2    DZZ       0.10929   -0.02360    0.01993    0.23070   -0.00053
  43 C2    DXY      -0.03965   -0.01381    0.02981   -0.00147   -0.02778
  44 C2    DXZ       0.11705    0.06988    0.11429   -0.14565   -0.15454
  45 C2    DYZ      -0.00529    0.00086   -0.00341   -0.00020    0.00367
  46 *C2   S1       -0.03145   -0.01632   -0.00878   -0.00108   -0.01107
  47 *C2   S        -0.40959   -0.26670   -0.04762   -0.02849   -0.39482
  48 *C2   PX        0.01137   -0.06093    0.00192   -0.17099   -0.09037
  49 *C2   PY        0.01313    0.00423   -0.01077   -0.00127    0.00548
  50 *C2   PZ        0.07136   -0.00745    0.00353   -0.10113    0.04515
  51 *C2   S'        3.24087    2.82347    1.26133    0.41555    1.20441
  52 *C2   PX'       0.62337    0.93663    0.30422   -0.04693    0.56101
  53 *C2   PY'      -0.04509   -0.02239    0.03717    0.00751   -0.02198
  54 *C2   PZ'      -1.66208   -1.41563   -0.06769    0.01997   -0.37635
  55 *C2   DXX       0.04387   -0.06447   -0.04853    0.20563    0.16554
  56 *C2   DYY      -0.15622    0.16404    0.04853    0.01839   -0.25044
  57 *C2   DZZ       0.10929   -0.02360    0.01993   -0.23070   -0.00053
  58 *C2   DXY      -0.03965   -0.01381    0.02981    0.00147   -0.02778
  59 *C2   DXZ      -0.11705   -0.06988   -0.11429   -0.14565    0.15454
  60 *C2   DYZ       0.00529   -0.00086    0.00341   -0.00020   -0.00367
  61 *C3   S1        0.01999    0.02945    0.01014   -0.00225    0.00057
  62 *C3   S         0.47411    0.50807    0.24373    0.03274   -0.22807
  63 *C3   PX       -0.04325   -0.16589   -0.17576    0.16847   -0.07567
  64 *C3   PY       -0.02822   -0.00205    0.02243    0.00387   -0.00447
  65 *C3   PZ       -0.00744   -0.06579    0.02592   -0.15718    0.05230
  66 *C3   S'       -3.60110   -3.43271   -1.43472    0.51892   -0.52064
  67 *C3   PX'       1.04297    1.11058    1.20450   -0.07238    0.58615
  68 *C3   PY'       0.12952    0.01310   -0.12143   -0.01430    0.04311
  69 *C3   PZ'       2.40518    1.72662    0.82745    0.10463    0.03648
  70 *C3   DXX       0.03846   -0.05584    0.01291    0.24846    0.19293
  71 *C3   DYY      -0.19113    0.19919    0.04942    0.02234   -0.20591
  72 *C3   DZZ       0.07938   -0.14602   -0.03651   -0.25055   -0.08332
  73 *C3   DXY       0.01164    0.01203   -0.01588   -0.00870    0.00377
  74 *C3   DXZ       0.02748   -0.10154    0.07863    0.15171   -0.22484
  75 *C3   DYZ      -0.17690    0.01199    0.06447    0.00603   -0.03898
  76 C3    S1        0.01999    0.02945    0.01014    0.00225    0.00057
  77 C3    S         0.47411    0.50807    0.24373   -0.03274   -0.22807
  78 C3    PX       -0.04325   -0.16589   -0.17576   -0.16847   -0.07567
  79 C3    PY       -0.02822   -0.00205    0.02243   -0.00387   -0.00447
  80 C3    PZ        0.00744    0.06579   -0.02592   -0.15718   -0.05230
  81 C3    S'       -3.60110   -3.43271   -1.43472   -0.51892   -0.52064
  82 C3    PX'       1.04297    1.11058    1.20450    0.07238    0.58615
  83 C3    PY'       0.12952    0.01310   -0.12143    0.01430    0.04311
  84 C3    PZ'      -2.40518   -1.72662   -0.82745    0.10463   -0.03648
  85 C3    DXX       0.03846   -0.05584    0.01291   -0.24846    0.19293
  86 C3    DYY      -0.19113    0.19919    0.04942   -0.02234   -0.20591
  87 C3    DZZ       0.07938   -0.14602   -0.03651    0.25055   -0.08332
  88 C3    DXY       0.01164    0.01203   -0.01588    0.00870    0.00377
  89 C3    DXZ      -0.02748    0.10154   -0.07863    0.15171    0.22484
  90 C3    DYZ       0.17690   -0.01199   -0.06447    0.00603    0.03898
  91 H2    S        -0.10707    0.05491   -0.17580    0.01452    0.10292
  92 H2    S'        0.39074    0.43288    0.03040    0.07309    0.07745
  93 *H2   S        -0.10707    0.05491   -0.17580   -0.01452    0.10292
  94 *H2   S'        0.39074    0.43288    0.03040   -0.07309    0.07745
  95 *H3   S        -0.27569    0.08259   -0.25973   -0.00916    0.14420
  96 *H3   S'       -0.67218   -0.50074   -0.27779   -0.09210   -0.15316
  97 H3    S        -0.27569    0.08259   -0.25973    0.00916    0.14420
  98 H3    S'       -0.67218   -0.50074   -0.27779    0.09210   -0.15316
  99 C7    S1       -0.00639    0.00271   -0.00343    0.00000   -0.00761
 100 C7    S        -0.05613    0.49417    0.02645   -0.00000    0.32256
 101 C7    PX       -0.00429   -0.38481   -0.06490    0.00000   -0.26754
 102 C7    PY       -0.00580   -0.02321   -0.00193    0.00000    0.00950
 103 C7    PZ        0.00000    0.00000    0.00000   -0.03842    0.00000
 104 C7    S'        1.26116   -0.48843    1.10211    0.00000   -0.14715
 105 C7    PX'      -0.47907    1.05710   -0.90586   -0.00000    0.76782
 106 C7    PY'       0.35889    0.08969   -0.44339    0.00000   -0.00412
 107 C7    PZ'       0.00000    0.00000   -0.00000    0.49067   -0.00000
 108 C7    DXX       0.10991   -0.27786    0.11223    0.00000   -0.17081
 109 C7    DYY      -0.07702    0.07636    0.09540    0.00000    0.13328
 110 C7    DZZ      -0.02377    0.14956   -0.22342    0.00000   -0.02980
 111 C7    DXY      -0.08970   -0.00321    0.12858    0.00000   -0.00159
 112 C7    DXZ      -0.00000   -0.00000    0.00000   -0.09348    0.00000
 113 C7    DYZ       0.00000    0.00000    0.00000   -0.01394    0.00000
 114 F1    S1       -0.00215    0.00104    0.00244   -0.00154    0.00846
 115 F1    S         0.01248   -0.10856    0.23231   -0.12629    0.18910
 116 F1    PX       -0.05388    0.20513   -0.17280   -0.03057    0.04036
 117 F1    PY        0.02165   -0.01380    0.05971   -0.05650    0.05699
 118 F1    PZ       -0.00332   -0.02228    0.04304   -0.04211    0.02312
 119 F1    S'        0.00187    0.13782   -0.40059    0.32297   -0.43449
 120 F1    PX'       0.07337   -0.40541    0.29602    0.04472   -0.12508
 121 F1    PY'      -0.08161   -0.02653   -0.00033    0.10828   -0.10578
 122 F1    PZ'       0.00714   -0.01283   -0.03167    0.06342   -0.09808
 123 F1    DXX       0.06437   -0.16968   -0.01556    0.21655   -0.01420
 124 F1    DYY      -0.16034    0.08351    0.20610   -0.23109    0.09640
 125 F1    DZZ       0.08490    0.00060    0.02021   -0.07167    0.09650
 126 F1    DXY      -0.11423   -0.12404    0.29011    0.01521    0.16160
 127 F1    DXZ       0.18867    0.03142   -0.26184    0.09041   -0.14452
 128 F1    DYZ       0.09067   -0.08186    0.00015    0.08187    0.02341
 129 F2    S1        0.01840    0.00464   -0.02684    0.00000    0.00744
 130 F2    S         0.25568    0.07954   -0.47492   -0.00000   -0.09705
 131 F2    PX       -0.05918    0.13047    0.00303    0.00000    0.16750
 132 F2    PY       -0.06204   -0.03600    0.19168    0.00000    0.07573
 133 F2    PZ        0.00000    0.00000   -0.00000    0.04088    0.00000
 134 F2    S'       -0.69337   -0.20615    1.08991    0.00000    0.02663
 135 F2    PX'       0.13277   -0.30886    0.01378    0.00000   -0.29641
 136 F2    PY'       0.12538    0.10954   -0.30271    0.00000   -0.01090
 137 F2    PZ'      -0.00000   -0.00000    0.00000   -0.10237    0.00000
 138 F2    DXX       0.23829   -0.16467   -0.20481   -0.00000   -0.03984
 139 F2    DYY       0.02730    0.06203   -0.12149   -0.00000   -0.01222
 140 F2    DZZ       0.05487    0.18138   -0.22288    0.00000    0.00915
 141 F2    DXY       0.09868    0.07076   -0.19567    0.00000   -0.04416
 142 F2    DXZ      -0.00000   -0.00000    0.00000    0.18606    0.00000
 143 F2    DYZ       0.00000    0.00000    0.00000   -0.03329    0.00000
 144 F3    S1       -0.00215    0.00104    0.00244    0.00154    0.00846
 145 F3    S         0.01248   -0.10856    0.23231    0.12629    0.18910
 146 F3    PX       -0.05388    0.20513   -0.17280    0.03057    0.04036
 147 F3    PY        0.02165   -0.01380    0.05971    0.05650    0.05699
 148 F3    PZ        0.00332    0.02228   -0.04304   -0.04211   -0.02312
 149 F3    S'        0.00187    0.13782   -0.40059   -0.32297   -0.43449
 150 F3    PX'       0.07337   -0.40541    0.29602   -0.04472   -0.12508
 151 F3    PY'      -0.08161   -0.02653   -0.00033   -0.10828   -0.10578
 152 F3    PZ'      -0.00714    0.01283    0.03167    0.06342    0.09808
 153 F3    DXX       0.06437   -0.16968   -0.01556   -0.21655   -0.01420
 154 F3    DYY      -0.16034    0.08351    0.20610    0.23109    0.09640
 155 F3    DZZ       0.08490    0.00060    0.02021    0.07167    0.09650
 156 F3    DXY      -0.11423   -0.12404    0.29011   -0.01521    0.16160
 157 F3    DXZ      -0.18867   -0.03142    0.26184    0.09041    0.14452
 158 F3    DYZ      -0.09067    0.08186   -0.00015    0.08187   -0.02341
 159 Br1   S         0.02259    0.01360    0.01987    0.00000    0.00222
 160 Br1   S         0.06456    0.04485    0.05550    0.00000    0.00828
 161 Br1   PX       -0.00961   -0.00417   -0.00015    0.00000   -0.00072
 162 Br1   PY       -0.00047    0.00004    0.00030    0.00000   -0.00013
 163 Br1   PZ        0.00000    0.00000    0.00000    0.00143    0.00000
 164 Br1   S        -0.24495   -0.13213   -0.21733    0.00000   -0.01756
 165 Br1   PX        0.03366    0.01482    0.00016    0.00000    0.00284
 166 Br1   PY        0.00161   -0.00012   -0.00103    0.00000    0.00044
 167 Br1   PZ        0.00000    0.00000    0.00000   -0.00518    0.00000
 168 Br1   S         2.17509    1.38850    1.96561   -0.00000    0.26207
 169 Br1   PX       -0.12602   -0.07667    0.02660    0.00000   -0.03239
 170 Br1   PY       -0.00401    0.00018    0.00309    0.00000   -0.00116
 171 Br1   PZ        0.00000    0.00000    0.00000    0.02240    0.00000
 172 Br1   S        -0.96422   -0.33506   -0.51284    0.00000   -0.10316
 173 Br1   PX       -0.29879   -0.00733   -0.05725    0.00000   -0.03722
 174 Br1   PY        0.00162    0.00041    0.00059    0.00000    0.00103
 175 Br1   PZ        0.00000    0.00000    0.00000    0.11619    0.00000
 176 Br1   DXX       0.05805    0.01910    0.03249    0.00000    0.00215
 177 Br1   DYY      -0.00910    0.01248    0.00860    0.00000    0.00201
 178 Br1   DZZ       0.00926    0.00800    0.01088    0.00000    0.00456
 179 Br1   DXY       0.00409   -0.00069   -0.00199    0.00000    0.00079
 180 Br1   DXZ       0.00000    0.00000    0.00000   -0.01303    0.00000
 181 Br1   DYZ       0.00000    0.00000    0.00000    0.00032    0.00000
 182 Br1   DXX       0.21499    0.12594    0.19712   -0.00000    0.02341
 183 Br1   DYY       0.21906    0.12374    0.19954   -0.00000    0.02371
 184 Br1   DZZ       0.21402    0.12512    0.19884   -0.00000    0.02186
 185 Br1   DXY      -0.00107    0.00019    0.00041    0.00000   -0.00021
 186 Br1   DXZ       0.00000    0.00000    0.00000    0.00002    0.00000
 187 Br1   DYZ       0.00000    0.00000    0.00000   -0.00007    0.00000
 188 Br1   DXX       0.85726    0.57895    0.90762   -0.00000    0.09508
 189 Br1   DYY       1.16054    0.62053    0.99258   -0.00000    0.10797
 190 Br1   DZZ       1.10449    0.63351    0.98607   -0.00000    0.10796
 191 Br1   DXY      -0.01186    0.00178    0.00689    0.00000   -0.00229
 192 Br1   DXZ       0.00000    0.00000    0.00000    0.08166    0.00000
 193 Br1   DYZ       0.00000    0.00000    0.00000   -0.00130    0.00000
  MO:                 136        137        138        139        140    
  Eigenvalues:       1.83747    1.85068    1.89070    1.90841    1.91736
          (ev)      50.00013   50.35971   51.44853   51.93061   52.17406

                       A"         A'         A"         A'         A'     
   1 *C1   S1        0.00000   -0.01369    0.00000   -0.06951    0.00706
   2 *C1   S         0.00000   -0.18445    0.00000   -0.97644   -0.29169
   3 *C1   PX        0.00000   -0.02312    0.00000   -0.13127   -0.15560
   4 *C1   PY        0.00000    0.00573    0.00000   -0.00475    0.00362
   5 *C1   PZ        0.09169   -0.00000   -0.18647    0.00000   -0.00000
   6 *C1   S'       -0.00000    1.86279   -0.00000    9.70287    2.74897
   7 *C1   PX'      -0.00000    1.00282   -0.00000    5.29753    3.20197
   8 *C1   PY'       0.00000   -0.02193    0.00000   -0.03788   -0.03720
   9 *C1   PZ'      -0.49692    0.00000    0.18715   -0.00000    0.00000
  10 *C1   DXX       0.00000    0.06486   -0.00000    0.26946   -0.39793
  11 *C1   DYY       0.00000    0.00408    0.00000    0.00380    0.21853
  12 *C1   DZZ       0.00000   -0.03820    0.00000   -0.12163    0.20041
  13 *C1   DXY      -0.00000   -0.00848    0.00000   -0.00956    0.00341
  14 *C1   DXZ      -0.01138    0.00000    0.26140    0.00000   -0.00000
  15 *C1   DYZ       0.00252    0.00000   -0.00281    0.00000    0.00000
  16 *C4   S1        0.00000    0.00652    0.00000    0.04131    0.02292
  17 *C4   S        -0.00000    0.17439   -0.00000    1.09258   -0.17141
  18 *C4   PX        0.00000    0.02869    0.00000   -0.05385   -0.02239
  19 *C4   PY        0.00000   -0.06793    0.00000    0.02684   -0.01426
  20 *C4   PZ       -0.04656   -0.00000   -0.33754    0.00000   -0.00000
  21 *C4   S'        0.00000   -1.36422    0.00000   -8.39192   -1.99538
  22 *C4   PX'       0.00000    1.15426   -0.00000    6.30368    1.51939
  23 *C4   PY'      -0.00000    0.16464   -0.00000   -0.13376    0.10664
  24 *C4   PZ'       0.92428    0.00000    2.07647   -0.00000    0.00000
  25 *C4   DXX       0.00000   -0.02408    0.00000   -0.06482    0.12389
  26 *C4   DYY       0.00000    0.02205    0.00000   -0.11982   -0.13167
  27 *C4   DZZ       0.00000   -0.01506    0.00000    0.04028   -0.01595
  28 *C4   DXY      -0.00000    0.06971    0.00000   -0.00949    0.04625
  29 *C4   DXZ       0.06617   -0.00000   -0.03970    0.00000    0.00000
  30 *C4   DYZ       0.00844    0.00000   -0.01127    0.00000    0.00000
  31 C2    S1       -0.00047    0.01108    0.00187    0.05359    0.02952
  32 C2    S        -0.01778    0.21076    0.25295    0.96870    0.40963
  33 C2    PX       -0.01113    0.01185    0.01398   -0.01448    0.14159
  34 C2    PY       -0.00250    0.00177    0.00310    0.00799    0.00184
  35 C2    PZ        0.02619    0.00805    0.13856    0.04420    0.03110
  36 C2    S'        0.13769   -1.76114   -0.20743   -8.81698   -3.66207
  37 C2    PX'       0.48093   -0.62796   -0.04793   -2.99939   -1.58409
  38 C2    PY'       0.00467    0.01856   -0.00825   -0.01528    0.01184
  39 C2    PZ'      -0.05712   -0.97604   -0.56158   -5.11953   -1.67814
  40 C2    DXX      -0.01360   -0.00995    0.15555   -0.00738   -0.05853
  41 C2    DYY       0.04136   -0.02244    0.03519   -0.18379    0.16291
  42 C2    DZZ      -0.03619    0.01946   -0.16140    0.06108   -0.16347
  43 C2    DXY      -0.00038    0.01601    0.00393   -0.03091   -0.00475
  44 C2    DXZ      -0.07504    0.04121    0.10624    0.15105   -0.30828
  45 C2    DYZ      -0.00266   -0.00301    0.00541    0.00051   -0.00122
  46 *C2   S1        0.00047    0.01108   -0.00187    0.05359    0.02952
  47 *C2   S         0.01778    0.21076   -0.25295    0.96870    0.40963
  48 *C2   PX        0.01113    0.01185   -0.01398   -0.01448    0.14159
  49 *C2   PY        0.00250    0.00177   -0.00310    0.00799    0.00184
  50 *C2   PZ        0.02619   -0.00805    0.13856   -0.04420   -0.03110
  51 *C2   S'       -0.13769   -1.76114    0.20743   -8.81698   -3.66207
  52 *C2   PX'      -0.48093   -0.62796    0.04793   -2.99939   -1.58409
  53 *C2   PY'      -0.00467    0.01856    0.00825   -0.01528    0.01184
  54 *C2   PZ'      -0.05712    0.97604   -0.56158    5.11953    1.67814
  55 *C2   DXX       0.01360   -0.00995   -0.15555   -0.00738   -0.05853
  56 *C2   DYY      -0.04136   -0.02244   -0.03519   -0.18379    0.16291
  57 *C2   DZZ       0.03619    0.01946    0.16140    0.06108   -0.16347
  58 *C2   DXY       0.00038    0.01601   -0.00393   -0.03091   -0.00475
  59 *C2   DXZ      -0.07504   -0.04121    0.10624   -0.15105    0.30828
  60 *C2   DYZ      -0.00266    0.00301    0.00541   -0.00051    0.00122
  61 *C3   S1       -0.00169   -0.01292    0.00789   -0.06544   -0.01220
  62 *C3   S        -0.03671   -0.12963    0.17835   -1.00515   -0.23497
  63 *C3   PX        0.05065    0.01387   -0.14311   -0.04222   -0.01137
  64 *C3   PY       -0.01077    0.00286    0.01361   -0.00989    0.00134
  65 *C3   PZ        0.02298    0.00692   -0.00931    0.08806   -0.03432
  66 *C3   S'       -0.11891    1.65640   -1.62766    9.16474    2.94270
  67 *C3   PX'      -0.63949   -0.63651   -0.44530   -2.82838   -1.22062
  68 *C3   PY'       0.02651   -0.05057   -0.01319    0.10680   -0.00621
  69 *C3   PZ'       0.16132   -0.90425    0.58064   -4.99326   -1.28345
  70 *C3   DXX      -0.00735   -0.02056    0.02806    0.03196   -0.02881
  71 *C3   DYY      -0.03240    0.00733   -0.06210    0.03777    0.06697
  72 *C3   DZZ       0.05267    0.02400    0.06238    0.02731    0.02259
  73 *C3   DXY       0.00312   -0.00212   -0.00639    0.00506    0.00105
  74 *C3   DXZ       0.08189    0.01935   -0.11162    0.06874   -0.13926
  75 *C3   DYZ       0.00803    0.01657   -0.00929   -0.01371    0.01715
  76 C3    S1        0.00169   -0.01292   -0.00789   -0.06544   -0.01220
  77 C3    S         0.03671   -0.12963   -0.17835   -1.00515   -0.23497
  78 C3    PX       -0.05065    0.01387    0.14311   -0.04222   -0.01137
  79 C3    PY        0.01077    0.00286   -0.01361   -0.00989    0.00134
  80 C3    PZ        0.02298   -0.00692   -0.00931   -0.08806    0.03432
  81 C3    S'        0.11891    1.65640    1.62766    9.16474    2.94270
  82 C3    PX'       0.63949   -0.63651    0.44530   -2.82838   -1.22062
  83 C3    PY'      -0.02651   -0.05057    0.01319    0.10680   -0.00621
  84 C3    PZ'       0.16132    0.90425    0.58064    4.99326    1.28345
  85 C3    DXX       0.00735   -0.02056   -0.02806    0.03196   -0.02881
  86 C3    DYY       0.03240    0.00733    0.06210    0.03777    0.06697
  87 C3    DZZ      -0.05267    0.02400   -0.06238    0.02731    0.02259
  88 C3    DXY      -0.00312   -0.00212    0.00639    0.00506    0.00105
  89 C3    DXZ       0.08189   -0.01935   -0.11162   -0.06874    0.13926
  90 C3    DYZ       0.00803   -0.01657   -0.00929    0.01371   -0.01715
  91 H2    S         0.10282   -0.12518   -0.05582   -0.59345    0.14535
  92 H2    S'        0.04426   -0.25275   -0.16136   -1.32412   -0.56228
  93 *H2   S        -0.10282   -0.12518    0.05582   -0.59345    0.14535
  94 *H2   S'       -0.04426   -0.25275    0.16136   -1.32412   -0.56228
  95 *H3   S        -0.00108    0.06078    0.06325    0.32905    0.18396
  96 *H3   S'        0.05436    0.26577    0.05403    1.25102    0.37039
  97 H3    S         0.00108    0.06078   -0.06325    0.32905    0.18396
  98 H3    S'       -0.05436    0.26577   -0.05403    1.25102    0.37039
  99 C7    S1        0.00000    0.00184    0.00000    0.00664    0.00550
 100 C7    S         0.00000   -0.01395   -0.00000   -0.00729   -0.13377
 101 C7    PX        0.00000    0.04057    0.00000    0.09781    0.12123
 102 C7    PY        0.00000   -0.02497    0.00000    0.05931    0.03911
 103 C7    PZ       -0.02507   -0.00000   -0.10256    0.00000    0.00000
 104 C7    S'       -0.00000   -0.42895    0.00000   -2.01240   -0.49796
 105 C7    PX'       0.00000    0.26382   -0.00000    1.37266   -0.29219
 106 C7    PY'       0.00000    0.05374    0.00000    0.00545   -0.31266
 107 C7    PZ'      -0.38201   -0.00000   -0.18003    0.00000   -0.00000
 108 C7    DXX       0.00000   -0.05174    0.00000   -0.17351    0.14420
 109 C7    DYY      -0.00000    0.04613   -0.00000    0.03874   -0.15163
 110 C7    DZZ       0.00000    0.01774   -0.00000    0.16272    0.03524
 111 C7    DXY      -0.00000   -0.01490    0.00000   -0.08978   -0.06295
 112 C7    DXZ      -0.04631    0.00000    0.13878    0.00000   -0.00000
 113 C7    DYZ       0.07884   -0.00000   -0.05500   -0.00000    0.00000
 114 F1    S1        0.01153    0.00107   -0.00507    0.01148   -0.00347
 115 F1    S         0.12059   -0.08594   -0.18006    0.06733   -0.05293
 116 F1    PX        0.00116    0.02986    0.02286    0.11860   -0.03324
 117 F1    PY        0.03331    0.01446   -0.00882   -0.01747   -0.04686
 118 F1    PZ       -0.06103   -0.04454   -0.02488    0.00184    0.00583
 119 F1    S'       -0.37968    0.13065    0.30945   -0.25565    0.13670
 120 F1    PX'       0.04154   -0.06267   -0.09230   -0.19991    0.09240
 121 F1    PY'      -0.09928   -0.02060    0.02371   -0.02160    0.11449
 122 F1    PZ'       0.02760    0.05233    0.08030   -0.09456    0.00176
 123 F1    DXX      -0.07483    0.25401    0.24572    0.04703   -0.05045
 124 F1    DYY       0.10078   -0.16920   -0.33397   -0.01472   -0.02273
 125 F1    DZZ       0.10929   -0.13540   -0.04410    0.06008    0.01373
 126 F1    DXY       0.41025    0.29064    0.16714   -0.09866   -0.04216
 127 F1    DXZ      -0.37894    0.05608    0.28434   -0.05587    0.04983
 128 F1    DYZ      -0.14852    0.22091    0.09984   -0.06771   -0.00073
 129 F2    S1        0.00000    0.00378    0.00000    0.00935   -0.01890
 130 F2    S         0.00000    0.11937   -0.00000    0.00308   -0.14552
 131 F2    PX        0.00000    0.04098   -0.00000    0.11653   -0.06485
 132 F2    PY       -0.00000   -0.04370    0.00000   -0.02072   -0.05233
 133 F2    PZ       -0.02129    0.00000    0.04402    0.00000   -0.00000
 134 F2    S'       -0.00000   -0.23720    0.00000   -0.10490    0.55460
 135 F2    PX'       0.00000   -0.04290    0.00000   -0.22944    0.08109
 136 F2    PY'       0.00000    0.08464   -0.00000    0.06312   -0.09146
 137 F2    PZ'       0.07611    0.00000   -0.04644   -0.00000    0.00000
 138 F2    DXX       0.00000   -0.41794    0.00000    0.18343   -0.10817
 139 F2    DYY       0.00000   -0.09466    0.00000   -0.05140   -0.12071
 140 F2    DZZ      -0.00000    0.61035   -0.00000   -0.05981    0.05230
 141 F2    DXY       0.00000    0.40365   -0.00000   -0.05385   -0.01015
 142 F2    DXZ       0.49863    0.00000    0.47832    0.00000    0.00000
 143 F2    DYZ       0.07186   -0.00000   -0.15142    0.00000    0.00000
 144 F3    S1       -0.01153    0.00107    0.00507    0.01148   -0.00347
 145 F3    S        -0.12059   -0.08594    0.18006    0.06733   -0.05293
 146 F3    PX       -0.00116    0.02986   -0.02286    0.11860   -0.03324
 147 F3    PY       -0.03331    0.01446    0.00882   -0.01747   -0.04686
 148 F3    PZ       -0.06103    0.04454   -0.02488   -0.00184   -0.00583
 149 F3    S'        0.37968    0.13065   -0.30945   -0.25565    0.13670
 150 F3    PX'      -0.04154   -0.06267    0.09230   -0.19991    0.09240
 151 F3    PY'       0.09928   -0.02060   -0.02371   -0.02160    0.11449
 152 F3    PZ'       0.02760   -0.05233    0.08030    0.09456   -0.00176
 153 F3    DXX       0.07483    0.25401   -0.24572    0.04703   -0.05045
 154 F3    DYY      -0.10078   -0.16920    0.33397   -0.01472   -0.02273
 155 F3    DZZ      -0.10929   -0.13540    0.04410    0.06008    0.01373
 156 F3    DXY      -0.41025    0.29064   -0.16714   -0.09866   -0.04216
 157 F3    DXZ      -0.37894   -0.05608    0.28434    0.05587   -0.04983
 158 F3    DYZ      -0.14852   -0.22091    0.09984    0.06771    0.00073
 159 Br1   S         0.00000    0.00222    0.00000    0.01183    0.03024
 160 Br1   S         0.00000    0.00156    0.00000    0.01048    0.07382
 161 Br1   PX        0.00000    0.00182    0.00000    0.01275    0.03775
 162 Br1   PY        0.00000   -0.00005    0.00000   -0.00027   -0.00037
 163 Br1   PZ        0.00185    0.00000    0.00060    0.00000    0.00000
 164 Br1   S         0.00000   -0.03715    0.00000   -0.19057   -0.34009
 165 Br1   PX        0.00000   -0.00677    0.00000   -0.04672   -0.13382
 166 Br1   PY        0.00000    0.00017    0.00000    0.00095    0.00132
 167 Br1   PZ       -0.00660    0.00000   -0.00198    0.00000    0.00000
 168 Br1   S        -0.00000    0.15743    0.00000    0.91227    3.39265
 169 Br1   PX       -0.00000    0.06241   -0.00000    0.35862    0.59462
 170 Br1   PY        0.00000   -0.00065    0.00000   -0.00541   -0.00586
 171 Br1   PZ        0.03196    0.00000    0.00454    0.00000   -0.00000
 172 Br1   S         0.00000   -0.03896    0.00000   -0.09473   -0.13739
 173 Br1   PX       -0.00000   -0.00967    0.00000    0.02562    0.34320
 174 Br1   PY        0.00000    0.00126    0.00000    0.00118   -0.00135
 175 Br1   PZ       -0.00995    0.00000   -0.05094    0.00000    0.00000
 176 Br1   DXX       0.00000    0.00709    0.00000    0.02643   -0.03164
 177 Br1   DYY       0.00000   -0.00428    0.00000   -0.01320    0.05399
 178 Br1   DZZ       0.00000   -0.00135    0.00000   -0.00201    0.06780
 179 Br1   DXY       0.00000    0.00020    0.00000   -0.00018    0.00072
 180 Br1   DXZ      -0.00042    0.00000   -0.00200    0.00000    0.00000
 181 Br1   DYZ      -0.00019    0.00000    0.00019    0.00000    0.00000
 182 Br1   DXX      -0.00000    0.02383    0.00000    0.13111    0.37600
 183 Br1   DYY      -0.00000    0.02608    0.00000    0.14185    0.37883
 184 Br1   DZZ      -0.00000    0.02512    0.00000    0.13764    0.37378
 185 Br1   DXY       0.00000   -0.00014    0.00000    0.00008    0.00009
 186 Br1   DXZ      -0.00133    0.00000    0.00205    0.00000    0.00000
 187 Br1   DYZ       0.00009    0.00000   -0.00009    0.00000    0.00000
 188 Br1   DXX      -0.00000    0.10730    0.00000    0.64567    2.15093
 189 Br1   DYY      -0.00000    0.13895   -0.00000    0.71940    1.62089
 190 Br1   DZZ      -0.00000    0.12963   -0.00000    0.68618    1.57889
 191 Br1   DXY       0.00000    0.00001    0.00000   -0.00038   -0.00482
 192 Br1   DXZ       0.01601    0.00000   -0.01064    0.00000    0.00000
 193 Br1   DYZ       0.00040    0.00000   -0.00034    0.00000    0.00000
  MO:                 141        142        143        144        145    
  Eigenvalues:       1.94202    1.96284    1.98688    1.98944    2.00606
          (ev)      52.84503   53.41152   54.06583   54.13537   54.58770

                       A"         A'         A'         A"         A"     
   1 *C1   S1        0.00000   -0.00245   -0.01069   -0.00000   -0.00000
   2 *C1   S         0.00000    0.11590   -0.03316   -0.00000   -0.00000
   3 *C1   PX        0.00000    0.07217    0.04608    0.00000   -0.00000
   4 *C1   PY        0.00000    0.00790   -0.00150    0.00000    0.00000
   5 *C1   PZ        0.21789   -0.00000    0.00000   -0.08001   -0.11503
   6 *C1   S'       -0.00000   -0.44558    1.58092    0.00000    0.00000
   7 *C1   PX'       0.00000   -0.58849    0.80917    0.00000    0.00000
   8 *C1   PY'      -0.00000   -0.01931   -0.04658   -0.00000   -0.00000
   9 *C1   PZ'      -0.67635    0.00000   -0.00000    0.19700    0.99032
  10 *C1   DXX      -0.00000    0.08127    0.03446    0.00000    0.00000
  11 *C1   DYY       0.00000   -0.03191    0.05204    0.00000   -0.00000
  12 *C1   DZZ       0.00000   -0.03735   -0.03403   -0.00000   -0.00000
  13 *C1   DXY      -0.00000   -0.00255   -0.07039   -0.00000   -0.00000
  14 *C1   DXZ       0.11997   -0.00000   -0.00000    0.26645    0.33508
  15 *C1   DYZ       0.00090    0.00000    0.00000    0.00413    0.00736
  16 *C4   S1        0.00000   -0.00235    0.01167    0.00000    0.00000
  17 *C4   S        -0.00000   -0.24489   -0.22335   -0.00000   -0.00000
  18 *C4   PX       -0.00000   -0.34619   -0.46370   -0.00000   -0.00000
  19 *C4   PY       -0.00000   -0.04521   -0.03316   -0.00000   -0.00000
  20 *C4   PZ        0.26297   -0.00000    0.00000   -0.05573    0.17659
  21 *C4   S'        0.00000    0.40003   -1.20329   -0.00000   -0.00000
  22 *C4   PX'       0.00000    0.95556    3.10477    0.00000    0.00000
  23 *C4   PY'       0.00000    0.59787   -0.17208   -0.00000   -0.00000
  24 *C4   PZ'      -1.34926    0.00000   -0.00000    1.03525   -1.74818
  25 *C4   DXX       0.00000    0.01217    0.01406    0.00000   -0.00000
  26 *C4   DYY      -0.00000   -0.04125   -0.05791   -0.00000   -0.00000
  27 *C4   DZZ       0.00000    0.10020    0.11733    0.00000    0.00000
  28 *C4   DXY       0.00000    0.19902    0.07465    0.00000    0.00000
  29 *C4   DXZ       0.02782   -0.00000   -0.00000    0.21596    0.41211
  30 *C4   DYZ       0.00099    0.00000   -0.00000    0.02395    0.06599
  31 C2    S1        0.00672   -0.00448    0.01128    0.00091   -0.00961
  32 C2    S         0.18128   -0.15318    0.08658    0.21352    0.04834
  33 C2    PX       -0.00986   -0.11860   -0.12659    0.00404   -0.02766
  34 C2    PY        0.00543    0.01003    0.00168   -0.00134    0.00383
  35 C2    PZ        0.20920   -0.01964   -0.00531    0.14919    0.12102
  36 C2    S'       -0.75820    0.43265   -2.07272   -0.42794    0.30270
  37 C2    PX'       0.42914    0.29690   -0.63093   -0.13245   -0.30143
  38 C2    PY'      -0.01918    0.00354    0.02188    0.01070   -0.01324
  39 C2    PZ'      -0.03521    0.25382   -0.89543   -0.32510    0.24942
  40 C2    DXX       0.07590    0.04608    0.03933    0.13208    0.18860
  41 C2    DYY       0.23025   -0.03748   -0.03348    0.06564    0.01228
  42 C2    DZZ      -0.32271   -0.01744   -0.04889   -0.16582   -0.15864
  43 C2    DXY      -0.00766   -0.03163   -0.01556   -0.00115   -0.04392
  44 C2    DXZ      -0.35739    0.09528    0.08680   -0.00558    0.04676
  45 C2    DYZ       0.00047   -0.01429    0.03307   -0.00011   -0.02063
  46 *C2   S1       -0.00672   -0.00448    0.01128   -0.00091    0.00961
  47 *C2   S        -0.18128   -0.15318    0.08658   -0.21352   -0.04834
  48 *C2   PX        0.00986   -0.11860   -0.12659   -0.00404    0.02766
  49 *C2   PY       -0.00543    0.01003    0.00168    0.00134   -0.00383
  50 *C2   PZ        0.20920    0.01964    0.00531    0.14919    0.12102
  51 *C2   S'        0.75820    0.43265   -2.07272    0.42794   -0.30270
  52 *C2   PX'      -0.42914    0.29690   -0.63093    0.13245    0.30143
  53 *C2   PY'       0.01918    0.00354    0.02188   -0.01070    0.01324
  54 *C2   PZ'      -0.03521   -0.25382    0.89543   -0.32510    0.24942
  55 *C2   DXX      -0.07590    0.04608    0.03933   -0.13208   -0.18860
  56 *C2   DYY      -0.23025   -0.03748   -0.03348   -0.06564   -0.01228
  57 *C2   DZZ       0.32271   -0.01744   -0.04889    0.16582    0.15864
  58 *C2   DXY       0.00766   -0.03163   -0.01556    0.00115    0.04392
  59 *C2   DXZ      -0.35739   -0.09528   -0.08680   -0.00558    0.04676
  60 *C2   DYZ       0.00047    0.01429   -0.03307   -0.00011   -0.02063
  61 *C3   S1       -0.01028    0.00010   -0.01468    0.00343   -0.00116
  62 *C3   S        -0.07327   -0.05873   -0.27384    0.21749    0.34888
  63 *C3   PX       -0.03807   -0.01897    0.02984   -0.12319   -0.04935
  64 *C3   PY        0.00966    0.00872    0.00778   -0.00771   -0.00828
  65 *C3   PZ        0.12441    0.04371    0.04510   -0.10936   -0.24965
  66 *C3   S'        1.09359   -0.07177    2.35981   -1.02939    0.53855
  67 *C3   PX'       0.47542   -0.12582   -1.33208    0.14294    0.62557
  68 *C3   PY'      -0.03544   -0.12464    0.06139    0.01507   -0.03366
  69 *C3   PZ'      -0.09693   -0.15247   -1.46290    0.55912   -0.16473
  70 *C3   DXX       0.00705    0.10979    0.12047    0.06189    0.00743
  71 *C3   DYY      -0.20687   -0.04796   -0.04949    0.06154    0.27284
  72 *C3   DZZ       0.25148   -0.08594   -0.06258   -0.07417   -0.20263
  73 *C3   DXY      -0.01066   -0.01447    0.01175    0.00002    0.00971
  74 *C3   DXZ       0.35548    0.06068    0.05676    0.00960   -0.02311
  75 *C3   DYZ      -0.00354    0.08382   -0.13039    0.01650    0.07267
  76 C3    S1        0.01028    0.00010   -0.01468   -0.00343    0.00116
  77 C3    S         0.07327   -0.05873   -0.27384   -0.21749   -0.34888
  78 C3    PX        0.03807   -0.01897    0.02984    0.12319    0.04935
  79 C3    PY       -0.00966    0.00872    0.00778    0.00771    0.00828
  80 C3    PZ        0.12441   -0.04371   -0.04510   -0.10936   -0.24965
  81 C3    S'       -1.09359   -0.07177    2.35981    1.02939   -0.53855
  82 C3    PX'      -0.47542   -0.12582   -1.33208   -0.14294   -0.62557
  83 C3    PY'       0.03544   -0.12464    0.06139   -0.01507    0.03366
  84 C3    PZ'      -0.09693    0.15247    1.46290    0.55912   -0.16473
  85 C3    DXX      -0.00705    0.10979    0.12047   -0.06189   -0.00743
  86 C3    DYY       0.20687   -0.04796   -0.04949   -0.06154   -0.27284
  87 C3    DZZ      -0.25148   -0.08594   -0.06258    0.07417    0.20263
  88 C3    DXY       0.01066   -0.01447    0.01175   -0.00002   -0.00971
  89 C3    DXZ       0.35548   -0.06068   -0.05676    0.00960   -0.02311
  90 C3    DYZ      -0.00354   -0.08382    0.13039    0.01650    0.07267
  91 H2    S         0.49667   -0.02436   -0.08529    0.06957    0.05189
  92 H2    S'       -0.01152    0.10847   -0.21064   -0.10812   -0.01499
  93 *H2   S        -0.49667   -0.02436   -0.08529   -0.06957   -0.05189
  94 *H2   S'        0.01152    0.10847   -0.21064    0.10812    0.01499
  95 *H3   S        -0.47472    0.00567    0.14923    0.02109    0.10923
  96 *H3   S'       -0.00908    0.11311    0.53553   -0.12749   -0.12590
  97 H3    S         0.47472    0.00567    0.14923   -0.02109   -0.10923
  98 H3    S'        0.00908    0.11311    0.53553    0.12749    0.12590
  99 C7    S1        0.00000    0.00792    0.00870    0.00000    0.00000
 100 C7    S         0.00000    0.06124   -0.06293   -0.00000   -0.00000
 101 C7    PX        0.00000   -0.07019    0.01266    0.00000    0.00000
 102 C7    PY        0.00000    0.23632   -0.18939   -0.00000   -0.00000
 103 C7    PZ       -0.01160    0.00000   -0.00000    0.28346   -0.05462
 104 C7    S'       -0.00000   -0.82033   -1.49060   -0.00000   -0.00000
 105 C7    PX'      -0.00000    0.07030    0.37902    0.00000   -0.00000
 106 C7    PY'      -0.00000   -1.52735    0.38881    0.00000    0.00000
 107 C7    PZ'       0.64622   -0.00000    0.00000   -1.21741    0.33192
 108 C7    DXX       0.00000    0.14466    0.16691    0.00000    0.00000
 109 C7    DYY      -0.00000   -0.33069   -0.20000   -0.00000   -0.00000
 110 C7    DZZ       0.00000    0.14425    0.02344    0.00000   -0.00000
 111 C7    DXY      -0.00000   -0.17020   -0.13603   -0.00000    0.00000
 112 C7    DXZ       0.01358    0.00000    0.00000   -0.04091   -0.40148
 113 C7    DYZ      -0.07663    0.00000   -0.00000    0.11785    0.17680
 114 F1    S1       -0.01283    0.01159   -0.00467    0.01837    0.01852
 115 F1    S        -0.24287    0.38389   -0.17017    0.53957   -0.25383
 116 F1    PX        0.02866   -0.06982   -0.06346    0.06011    0.01430
 117 F1    PY       -0.03168   -0.07934   -0.07486    0.05777   -0.08239
 118 F1    PZ        0.03597    0.06563   -0.03572    0.08232   -0.19714
 119 F1    S'        0.64395   -0.85325    0.41578   -1.30203    0.28861
 120 F1    PX'      -0.09133    0.19651    0.09421    0.00377    0.04192
 121 F1    PY'       0.12461    0.22559    0.09951   -0.21082    0.06743
 122 F1    PZ'       0.00586   -0.24003    0.10479   -0.20207    0.15810
 123 F1    DXX      -0.03987   -0.09734   -0.44471    0.42384   -0.15376
 124 F1    DYY      -0.05548    0.01329    0.41083    0.01913   -0.01950
 125 F1    DZZ      -0.11789    0.36633   -0.09993   -0.03089    0.10675
 126 F1    DXY      -0.08240   -0.16578    0.13401   -0.08334   -0.14563
 127 F1    DXZ       0.07711   -0.03533    0.08199   -0.30159    0.02603
 128 F1    DYZ      -0.06166    0.04681    0.03981    0.32261   -0.24344
 129 F2    S1       -0.00000   -0.05489   -0.01252   -0.00000    0.00000
 130 F2    S        -0.00000   -0.64399    0.59683    0.00000    0.00000
 131 F2    PX       -0.00000   -0.11362   -0.08571   -0.00000   -0.00000
 132 F2    PY       -0.00000   -0.04599   -0.27847   -0.00000   -0.00000
 133 F2    PZ        0.04442    0.00000    0.00000   -0.04262   -0.02703
 134 F2    S'        0.00000    2.00457   -0.86065   -0.00000   -0.00000
 135 F2    PX'       0.00000   -0.00841    0.14122    0.00000    0.00000
 136 F2    PY'      -0.00000   -0.33679    0.27859    0.00000    0.00000
 137 F2    PZ'      -0.13498    0.00000   -0.00000    0.20397    0.01694
 138 F2    DXX      -0.00000   -0.61524   -0.04115   -0.00000   -0.00000
 139 F2    DYY      -0.00000   -0.34322    0.33782    0.00000    0.00000
 140 F2    DZZ       0.00000    0.29121    0.01691    0.00000    0.00000
 141 F2    DXY       0.00000   -0.25351    0.25137    0.00000    0.00000
 142 F2    DXZ      -0.04819   -0.00000    0.00000   -0.11938    0.06559
 143 F2    DYZ      -0.01444    0.00000   -0.00000    0.29082   -0.13635
 144 F3    S1        0.01283    0.01159   -0.00467   -0.01837   -0.01852
 145 F3    S         0.24287    0.38389   -0.17017   -0.53957    0.25383
 146 F3    PX       -0.02866   -0.06982   -0.06346   -0.06011   -0.01430
 147 F3    PY        0.03168   -0.07934   -0.07486   -0.05777    0.08239
 148 F3    PZ        0.03597   -0.06563    0.03572    0.08232   -0.19714
 149 F3    S'       -0.64395   -0.85325    0.41578    1.30203   -0.28861
 150 F3    PX'       0.09133    0.19651    0.09421   -0.00377   -0.04192
 151 F3    PY'      -0.12461    0.22559    0.09951    0.21082   -0.06743
 152 F3    PZ'       0.00586    0.24003   -0.10479   -0.20207    0.15810
 153 F3    DXX       0.03987   -0.09734   -0.44471   -0.42384    0.15376
 154 F3    DYY       0.05548    0.01329    0.41083   -0.01913    0.01950
 155 F3    DZZ       0.11789    0.36633   -0.09993    0.03089   -0.10675
 156 F3    DXY       0.08240   -0.16578    0.13401    0.08334    0.14563
 157 F3    DXZ       0.07711    0.03533   -0.08199   -0.30159    0.02603
 158 F3    DYZ      -0.06166   -0.04681   -0.03981    0.32261   -0.24344
 159 Br1   S         0.00000   -0.00470    0.00094    0.00000    0.00000
 160 Br1   S         0.00000   -0.01019   -0.00002    0.00000    0.00000
 161 Br1   PX        0.00000   -0.00695    0.00162    0.00000    0.00000
 162 Br1   PY        0.00000    0.00004   -0.00027    0.00000    0.00000
 163 Br1   PZ        0.00381    0.00000    0.00000    0.00066   -0.00204
 164 Br1   S        -0.00000    0.05575   -0.01772    0.00000    0.00000
 165 Br1   PX       -0.00000    0.02467   -0.00593    0.00000    0.00000
 166 Br1   PY        0.00000   -0.00015    0.00090    0.00000    0.00000
 167 Br1   PZ       -0.01358    0.00000    0.00000   -0.00221    0.00738
 168 Br1   S         0.00000   -0.52584    0.05942   -0.00000   -0.00000
 169 Br1   PX        0.00000   -0.11342    0.04506    0.00000   -0.00000
 170 Br1   PY        0.00000    0.00035   -0.00179    0.00000    0.00000
 171 Br1   PZ        0.06463    0.00000    0.00000    0.00592   -0.03566
 172 Br1   S         0.00000    0.03535    0.02877    0.00000   -0.00000
 173 Br1   PX        0.00000   -0.04277    0.02360    0.00000   -0.00000
 174 Br1   PY        0.00000    0.00726    0.00321    0.00000    0.00000
 175 Br1   PZ       -0.05480    0.00000    0.00000   -0.04650   -0.08231
 176 Br1   DXX      -0.00000    0.00511    0.00117    0.00000    0.00000
 177 Br1   DYY       0.00000   -0.00696   -0.00071    0.00000   -0.00000
 178 Br1   DZZ       0.00000   -0.01164   -0.00057    0.00000   -0.00000
 179 Br1   DXY       0.00000   -0.00155    0.00291    0.00000    0.00000
 180 Br1   DXZ       0.00280    0.00000    0.00000   -0.00143    0.00891
 181 Br1   DYZ       0.00025    0.00000    0.00000   -0.00010    0.00037
 182 Br1   DXX       0.00000   -0.06106    0.01063    0.00000   -0.00000
 183 Br1   DYY       0.00000   -0.06231    0.01130    0.00000   -0.00000
 184 Br1   DZZ       0.00000   -0.06049    0.01131    0.00000   -0.00000
 185 Br1   DXY       0.00000    0.00049   -0.00134    0.00000    0.00000
 186 Br1   DXZ      -0.00340    0.00000    0.00000    0.00153   -0.00037
 187 Br1   DYZ      -0.00009    0.00000    0.00000    0.00003   -0.00020
 188 Br1   DXX       0.00000   -0.35016    0.05965    0.00000   -0.00000
 189 Br1   DYY       0.00000   -0.26661    0.05653    0.00000   -0.00000
 190 Br1   DZZ       0.00000   -0.25275    0.05536    0.00000   -0.00000
 191 Br1   DXY       0.00000    0.00579   -0.00573    0.00000    0.00000
 192 Br1   DXZ       0.01313    0.00000    0.00000   -0.00921   -0.06396
 193 Br1   DYZ      -0.00083    0.00000    0.00000    0.00040   -0.00053
  MO:                 146        147        148        149        150    
  Eigenvalues:       2.03778    2.05113    2.06304    2.08675    2.09427
          (ev)      55.45079   55.81416   56.13811   56.78350   56.98805

                       A'         A'         A"         A'         A"     
   1 *C1   S1       -0.00112   -0.02701    0.00000    0.00690    0.00000
   2 *C1   S        -0.34789   -0.71277   -0.00000    0.08965    0.00000
   3 *C1   PX       -0.12752   -0.20549   -0.00000    0.01614    0.00000
   4 *C1   PY       -0.01389    0.02075    0.00000    0.01681    0.00000
   5 *C1   PZ        0.00000    0.00000    0.00282   -0.00000    0.13703
   6 *C1   S'        0.13874    2.75209    0.00000   -1.20576   -0.00000
   7 *C1   PX'      -0.62407    0.89802    0.00000   -0.84080   -0.00000
   8 *C1   PY'      -0.10073    0.08515    0.00000    0.15570   -0.00000
   9 *C1   PZ'      -0.00000   -0.00000   -0.16036   -0.00000   -0.02700
  10 *C1   DXX       0.30579    0.35775    0.00000    0.04276   -0.00000
  11 *C1   DYY      -0.12660   -0.26265   -0.00000   -0.03149    0.00000
  12 *C1   DZZ      -0.19993   -0.10291   -0.00000   -0.03581   -0.00000
  13 *C1   DXY      -0.23924    0.21667    0.00000    0.27091   -0.00000
  14 *C1   DXZ      -0.00000   -0.00000   -0.02886    0.00000   -0.16611
  15 *C1   DYZ      -0.00000   -0.00000    0.00001   -0.00000   -0.06548
  16 *C4   S1        0.00131    0.03095    0.00000   -0.02018   -0.00000
  17 *C4   S        -0.26688   -0.29133   -0.00000    0.11646   -0.00000
  18 *C4   PX        0.20511   -0.22371   -0.00000    0.23201    0.00000
  19 *C4   PY       -0.06699    0.04295    0.00000    0.06072   -0.00000
  20 *C4   PZ        0.00000    0.00000   -0.05624    0.00000    0.01429
  21 *C4   S'        0.20912   -1.90299   -0.00000    0.98560    0.00000
  22 *C4   PX'      -1.95491    2.03697    0.00000   -2.20431   -0.00000
  23 *C4   PY'      -0.09131    0.08721    0.00000    0.57957    0.00000
  24 *C4   PZ'      -0.00000    0.00000    0.48764   -0.00000    1.80255
  25 *C4   DXX      -0.08801   -0.04146    0.00000    0.02291   -0.00000
  26 *C4   DYY      -0.08978    0.01010   -0.00000   -0.09575   -0.00000
  27 *C4   DZZ       0.08027    0.00270    0.00000    0.00790    0.00000
  28 *C4   DXY       0.29480   -0.25276   -0.00000   -0.22210    0.00000
  29 *C4   DXZ      -0.00000   -0.00000   -0.05219    0.00000   -0.20751
  30 *C4   DYZ      -0.00000    0.00000   -0.00951    0.00000    0.19378
  31 C2    S1        0.00001    0.00711    0.00252   -0.00778   -0.00468
  32 C2    S         0.12524    0.21546    0.02158   -0.10195   -0.18613
  33 C2    PX        0.06768    0.02110    0.01089    0.02129   -0.13607
  34 C2    PY        0.01530   -0.01675   -0.00129   -0.00018   -0.01238
  35 C2    PZ        0.09526    0.04104   -0.00688    0.01780   -0.06209
  36 C2    S'        0.71039   -1.99203   -0.08752    1.79211   -0.46022
  37 C2    PX'       0.21973   -0.63271    0.05347    0.65070   -0.26450
  38 C2    PY'       0.01411   -0.00248    0.00632   -0.10562   -0.05952
  39 C2    PZ'       0.19593   -1.01519   -0.06722    0.64802    0.09412
  40 C2    DXX      -0.20490   -0.13520   -0.02704   -0.03492    0.05619
  41 C2    DYY       0.08206   -0.07652    0.01854    0.04241   -0.19731
  42 C2    DZZ       0.19895    0.20897    0.00790    0.02188    0.05960
  43 C2    DXY      -0.08454    0.09014    0.00945   -0.01332   -0.14255
  44 C2    DXZ      -0.10870   -0.12362    0.00020   -0.01143   -0.13033
  45 C2    DYZ       0.13306   -0.12946    0.00393   -0.17932   -0.10798
  46 *C2   S1        0.00001    0.00711   -0.00252   -0.00778    0.00468
  47 *C2   S         0.12524    0.21546   -0.02158   -0.10195    0.18613
  48 *C2   PX        0.06768    0.02110   -0.01089    0.02129    0.13607
  49 *C2   PY        0.01530   -0.01675    0.00129   -0.00018    0.01238
  50 *C2   PZ       -0.09526   -0.04104   -0.00688   -0.01780   -0.06209
  51 *C2   S'        0.71039   -1.99203    0.08752    1.79211    0.46022
  52 *C2   PX'       0.21973   -0.63271   -0.05347    0.65070    0.26450
  53 *C2   PY'       0.01411   -0.00248   -0.00632   -0.10562    0.05952
  54 *C2   PZ'      -0.19593    1.01519   -0.06722   -0.64802    0.09412
  55 *C2   DXX      -0.20490   -0.13520    0.02704   -0.03492   -0.05619
  56 *C2   DYY       0.08206   -0.07652   -0.01854    0.04241    0.19731
  57 *C2   DZZ       0.19895    0.20897   -0.00790    0.02188   -0.05960
  58 *C2   DXY      -0.08454    0.09014   -0.00945   -0.01332    0.14255
  59 *C2   DXZ       0.10870    0.12362    0.00020    0.01143   -0.13033
  60 *C2   DYZ      -0.13306    0.12946    0.00393    0.17932   -0.10798
  61 *C3   S1        0.00940   -0.00852   -0.00077    0.01141    0.01529
  62 *C3   S         0.22803   -0.06328   -0.05890    0.11914    0.08293
  63 *C3   PX       -0.16663   -0.07241    0.00195   -0.10723   -0.18606
  64 *C3   PY        0.00716    0.00099   -0.00122   -0.01782   -0.04056
  65 *C3   PZ       -0.00553   -0.06361    0.04301    0.03480    0.12856
  66 *C3   S'       -1.27879    1.90358   -0.20592   -1.84604   -1.54621
  67 *C3   PX'       0.71962   -0.72228   -0.14098    1.16463    0.53606
  68 *C3   PY'       0.11907   -0.12060    0.01348   -0.13329   -0.05276
  69 *C3   PZ'       0.45305   -1.38162    0.03376    1.01079    0.58813
  70 *C3   DXX      -0.19529   -0.14327    0.01236   -0.00425   -0.19787
  71 *C3   DYY       0.14011    0.14509   -0.05292    0.01838    0.05111
  72 *C3   DZZ       0.06576    0.05657    0.03021   -0.02521    0.12634
  73 *C3   DXY       0.03127   -0.01669   -0.00267   -0.07536    0.12121
  74 *C3   DXZ      -0.27502   -0.24181   -0.00584   -0.01243    0.13363
  75 *C3   DYZ      -0.25987    0.22749   -0.01088    0.30455    0.16423
  76 C3    S1        0.00940   -0.00852    0.00077    0.01141   -0.01529
  77 C3    S         0.22803   -0.06328    0.05890    0.11914   -0.08293
  78 C3    PX       -0.16663   -0.07241   -0.00195   -0.10723    0.18606
  79 C3    PY        0.00716    0.00099    0.00122   -0.01782    0.04056
  80 C3    PZ        0.00553    0.06361    0.04301   -0.03480    0.12856
  81 C3    S'       -1.27879    1.90358    0.20592   -1.84604    1.54621
  82 C3    PX'       0.71962   -0.72228    0.14098    1.16463   -0.53606
  83 C3    PY'       0.11907   -0.12060   -0.01348   -0.13329    0.05276
  84 C3    PZ'      -0.45305    1.38162    0.03376   -1.01079    0.58813
  85 C3    DXX      -0.19529   -0.14327   -0.01236   -0.00425    0.19787
  86 C3    DYY       0.14011    0.14509    0.05292    0.01838   -0.05111
  87 C3    DZZ       0.06576    0.05657   -0.03021   -0.02521   -0.12634
  88 C3    DXY       0.03127   -0.01669    0.00267   -0.07536   -0.12121
  89 C3    DXZ       0.27502    0.24181   -0.00584    0.01243    0.13363
  90 C3    DYZ       0.25987   -0.22749   -0.01088   -0.30455    0.16423
  91 H2    S        -0.00109   -0.09374   -0.00155    0.03329    0.02479
  92 H2    S'        0.07366   -0.21534   -0.00137    0.16880    0.02329
  93 *H2   S        -0.00109   -0.09374    0.00155    0.03329   -0.02479
  94 *H2   S'        0.07366   -0.21534    0.00137    0.16880   -0.02329
  95 *H3   S         0.10370    0.29517   -0.00982   -0.13176   -0.19920
  96 *H3   S'       -0.17103    0.37609    0.04781   -0.36740   -0.07108
  97 H3    S         0.10370    0.29517    0.00982   -0.13176    0.19920
  98 H3    S'       -0.17103    0.37609   -0.04781   -0.36740    0.07108
  99 C7    S1       -0.00858    0.00886    0.00000    0.00158    0.00000
 100 C7    S        -0.02555   -0.03104   -0.00000    0.20624   -0.00000
 101 C7    PX       -0.03137    0.02247    0.00000   -0.06224   -0.00000
 102 C7    PY        0.05807   -0.06570   -0.00000    0.08006    0.00000
 103 C7    PZ       -0.00000    0.00000    0.03767   -0.00000    0.23541
 104 C7    S'        1.05656   -1.04833   -0.00000    0.61837    0.00000
 105 C7    PX'      -0.90680   -0.32863   -0.00000   -0.28977   -0.00000
 106 C7    PY'      -0.51123    0.43865    0.00000   -1.58414   -0.00000
 107 C7    PZ'       0.00000   -0.00000   -0.28490    0.00000   -2.37407
 108 C7    DXX       0.14561    0.23037    0.00000   -0.06347   -0.00000
 109 C7    DYY      -0.25029    0.06983    0.00000   -0.27474   -0.00000
 110 C7    DZZ       0.13081   -0.27567   -0.00000    0.29443    0.00000
 111 C7    DXY      -0.28351    0.28259    0.00000   -0.19088   -0.00000
 112 C7    DXZ       0.00000    0.00000    0.04656    0.00000   -0.16034
 113 C7    DYZ      -0.00000   -0.00000    0.00900   -0.00000    0.44931
 114 F1    S1        0.01013   -0.02596    0.00236    0.02330    0.05256
 115 F1    S        -0.06331   -0.09234    0.10148    0.11136    0.41982
 116 F1    PX       -0.02053   -0.11343   -0.00394   -0.02499    0.02939
 117 F1    PY       -0.07852    0.07234    0.17206   -0.20611    0.00411
 118 F1    PZ       -0.06086    0.05771   -0.07137   -0.04519   -0.19256
 119 F1    S'       -0.02931    0.57188   -0.24522   -0.59228   -1.71546
 120 F1    PX'       0.12258    0.15491    0.01699    0.13087    0.16848
 121 F1    PY'       0.13807   -0.03617   -0.27290    0.37633   -0.30401
 122 F1    PZ'       0.01785    0.14288    0.10104   -0.16147    0.02749
 123 F1    DXX       0.08612   -0.22731    0.04590   -0.01369    0.05931
 124 F1    DYY       0.01163   -0.01551   -0.42766    0.23471    0.03925
 125 F1    DZZ      -0.08273    0.06480    0.45416   -0.04940    0.38847
 126 F1    DXY       0.10417   -0.04584   -0.04209    0.09182   -0.00496
 127 F1    DXZ      -0.07820    0.15034    0.03660    0.01251    0.12338
 128 F1    DYZ       0.04183   -0.04913   -0.22966    0.18761    0.24952
 129 F2    S1       -0.03416    0.01145    0.00000   -0.05651    0.00000
 130 F2    S        -0.16270   -0.00997    0.00000   -0.51787   -0.00000
 131 F2    PX       -0.07057   -0.07209   -0.00000    0.11761    0.00000
 132 F2    PY       -0.14114    0.12551    0.00000   -0.18374   -0.00000
 133 F2    PZ        0.00000   -0.00000    0.16657    0.00000   -0.21819
 134 F2    S'        0.74141   -0.09816   -0.00000    1.79638    0.00000
 135 F2    PX'       0.05019    0.22887    0.00000   -0.39760   -0.00000
 136 F2    PY'      -0.05794   -0.12797    0.00000   -0.10352    0.00000
 137 F2    PZ'      -0.00000    0.00000   -0.21268   -0.00000    0.60649
 138 F2    DXX       0.00300   -0.15316   -0.00000    0.27829    0.00000
 139 F2    DYY      -0.10890    0.08393    0.00000   -0.60865   -0.00000
 140 F2    DZZ      -0.15284    0.10854    0.00000   -0.25627   -0.00000
 141 F2    DXY      -0.18721    0.08615    0.00000    0.19176    0.00000
 142 F2    DXZ      -0.00000    0.00000   -0.11026   -0.00000    0.10887
 143 F2    DYZ      -0.00000   -0.00000    0.60610    0.00000   -0.15022
 144 F3    S1        0.01013   -0.02596   -0.00236    0.02330   -0.05256
 145 F3    S        -0.06331   -0.09234   -0.10148    0.11136   -0.41982
 146 F3    PX       -0.02053   -0.11343    0.00394   -0.02499   -0.02939
 147 F3    PY       -0.07852    0.07234   -0.17206   -0.20611   -0.00411
 148 F3    PZ        0.06086   -0.05771   -0.07137    0.04519   -0.19256
 149 F3    S'       -0.02931    0.57188    0.24522   -0.59228    1.71546
 150 F3    PX'       0.12258    0.15491   -0.01699    0.13087   -0.16848
 151 F3    PY'       0.13807   -0.03617    0.27290    0.37633    0.30401
 152 F3    PZ'      -0.01785   -0.14288    0.10104    0.16147    0.02749
 153 F3    DXX       0.08612   -0.22731   -0.04590   -0.01369   -0.05931
 154 F3    DYY       0.01163   -0.01551    0.42766    0.23471   -0.03925
 155 F3    DZZ      -0.08273    0.06480   -0.45416   -0.04940   -0.38847
 156 F3    DXY       0.10417   -0.04584    0.04209    0.09182    0.00496
 157 F3    DXZ       0.07820   -0.15034    0.03660   -0.01251    0.12338
 158 F3    DYZ      -0.04183    0.04913   -0.22966   -0.18761    0.24952
 159 Br1   S        -0.00781   -0.00430    0.00000   -0.00249    0.00000
 160 Br1   S        -0.02142   -0.01797    0.00000   -0.00326    0.00000
 161 Br1   PX       -0.01681   -0.01168    0.00000   -0.00519    0.00000
 162 Br1   PY       -0.00093    0.00118    0.00000    0.00092    0.00000
 163 Br1   PZ        0.00000    0.00000    0.00051    0.00000   -0.00148
 164 Br1   S         0.07631    0.02145    0.00000    0.03531    0.00000
 165 Br1   PX        0.05931    0.04078    0.00000    0.01854    0.00000
 166 Br1   PY        0.00310   -0.00400    0.00000   -0.00304    0.00000
 167 Br1   PZ        0.00000    0.00000   -0.00182    0.00000    0.00513
 168 Br1   S        -1.04555   -0.75143   -0.00000   -0.25903   -0.00000
 169 Br1   PX       -0.22489   -0.10532   -0.00000   -0.09605   -0.00000
 170 Br1   PY       -0.00627    0.00955    0.00000    0.00449    0.00000
 171 Br1   PZ        0.00000    0.00000    0.00798    0.00000   -0.01814
 172 Br1   S        -0.10583   -0.10972   -0.00000   -0.00778    0.00000
 173 Br1   PX       -0.19966   -0.17457   -0.00000   -0.03588    0.00000
 174 Br1   PY        0.01679   -0.01222    0.00000   -0.00876    0.00000
 175 Br1   PZ        0.00000    0.00000    0.00895   -0.00000    0.04222
 176 Br1   DXX       0.02930    0.03284    0.00000    0.00335    0.00000
 177 Br1   DYY      -0.02891   -0.03144    0.00000   -0.00186    0.00000
 178 Br1   DZZ      -0.03097   -0.02766    0.00000   -0.00685    0.00000
 179 Br1   DXY       0.00877   -0.00977    0.00000   -0.01198    0.00000
 180 Br1   DXZ       0.00000    0.00000   -0.00206    0.00000    0.00350
 181 Br1   DYZ       0.00000    0.00000   -0.00012    0.00000   -0.00012
 182 Br1   DXX      -0.11620   -0.07528   -0.00000   -0.03459    0.00000
 183 Br1   DYY      -0.11176   -0.06703   -0.00000   -0.03602   -0.00000
 184 Br1   DZZ      -0.11062   -0.06879   -0.00000   -0.03369    0.00000
 185 Br1   DXY      -0.00443    0.00443    0.00000    0.00605    0.00000
 186 Br1   DXZ       0.00000    0.00000    0.00040    0.00000   -0.00174
 187 Br1   DYZ       0.00000    0.00000    0.00006    0.00000    0.00014
 188 Br1   DXX      -0.72872   -0.50742   -0.00000   -0.20452   -0.00000
 189 Br1   DYY      -0.42143   -0.20775   -0.00000   -0.15470   -0.00000
 190 Br1   DZZ      -0.41714   -0.21756   -0.00000   -0.14120   -0.00000
 191 Br1   DXY      -0.01513    0.02132    0.00000    0.02274    0.00000
 192 Br1   DXZ       0.00000    0.00000    0.01126    0.00000   -0.00399
 193 Br1   DYZ       0.00000    0.00000    0.00024    0.00000   -0.00029
  MO:                 151        152        153        154        155    
  Eigenvalues:       2.11188    2.11863    2.15089    2.16447    2.22791
          (ev)      57.46732   57.65084   58.52885   58.89829   60.62467

                       A'         A"         A'         A"         A'     
   1 *C1   S1       -0.04222    0.00000   -0.01039    0.00000   -0.00047
   2 *C1   S        -0.53855    0.00000   -0.20677    0.00000    0.00752
   3 *C1   PX       -0.18499    0.00000   -0.11858    0.00000    0.00060
   4 *C1   PY       -0.00502    0.00000    0.00346    0.00000    0.08384
   5 *C1   PZ        0.00000    0.08239   -0.00000    0.21431    0.00000
   6 *C1   S'        1.23444   -0.00000   -0.21382   -0.00000   -0.00628
   7 *C1   PX'       0.91669   -0.00000   -0.12724   -0.00000    0.06952
   8 *C1   PY'      -0.05309    0.00000   -0.01259   -0.00000    0.42303
   9 *C1   PZ'       0.00000    0.16155   -0.00000    0.61844    0.00000
  10 *C1   DXX      -0.01035    0.00000   -0.06102   -0.00000   -0.02147
  11 *C1   DYY      -0.52863    0.00000   -0.16262    0.00000   -0.02064
  12 *C1   DZZ       0.44576   -0.00000    0.09922    0.00000    0.04318
  13 *C1   DXY      -0.08504    0.00000   -0.00281   -0.00000    0.62307
  14 *C1   DXZ      -0.00000   -0.01632    0.00000   -0.07317    0.00000
  15 *C1   DYZ       0.00000    0.27928   -0.00000   -0.06168   -0.00000
  16 *C4   S1        0.04012   -0.00000   -0.02360   -0.00000    0.01142
  17 *C4   S         0.58795   -0.00000   -0.19609   -0.00000    0.04463
  18 *C4   PX       -0.26134    0.00000    0.20034    0.00000   -0.02967
  19 *C4   PY       -0.00601    0.00000   -0.00754    0.00000   -0.08875
  20 *C4   PZ        0.00000    0.07300   -0.00000    0.06856    0.00000
  21 *C4   S'       -1.19502    0.00000    1.55844    0.00000   -0.28387
  22 *C4   PX'       0.84658   -0.00000    2.18079    0.00000   -0.32044
  23 *C4   PY'       0.09312    0.00000    0.10404    0.00000   -0.35055
  24 *C4   PZ'       0.00000    0.89375   -0.00000    0.80991    0.00000
  25 *C4   DXX      -0.00614    0.00000    0.40022    0.00000   -0.06090
  26 *C4   DYY       0.53237   -0.00000   -0.15156   -0.00000    0.09766
  27 *C4   DZZ      -0.41730    0.00000   -0.25861   -0.00000   -0.00105
  28 *C4   DXY       0.11438   -0.00000    0.04142   -0.00000    0.10223
  29 *C4   DXZ      -0.00000   -0.03528    0.00000   -0.00265    0.00000
  30 *C4   DYZ      -0.00000   -0.31006    0.00000    0.00400   -0.00000
  31 C2    S1       -0.01634   -0.00742   -0.01066   -0.03795    0.00082
  32 C2    S        -0.25975   -0.10730   -0.03148   -0.48368    0.00251
  33 C2    PX        0.16476   -0.07754    0.10309   -0.17496    0.02612
  34 C2    PY        0.00327    0.03041   -0.00322   -0.00078   -0.00168
  35 C2    PZ       -0.22185   -0.00560   -0.04178   -0.07000   -0.01674
  36 C2    S'        0.05709   -0.04370    0.12733    1.41451   -0.06465
  37 C2    PX'       0.23877   -0.12269   -0.12345    0.23602   -0.03528
  38 C2    PY'       0.00857    0.26764    0.01210   -0.06096   -0.29498
  39 C2    PZ'      -0.05270    0.08607    0.36501    0.53459    0.00699
  40 C2    DXX       0.16459    0.09513   -0.18052    0.30133    0.02208
  41 C2    DYY      -0.27677   -0.13908   -0.01006   -0.47393   -0.00893
  42 C2    DZZ       0.04267    0.00630    0.19183    0.07612   -0.00971
  43 C2    DXY      -0.04342    0.37007   -0.01176   -0.06007    0.14076
  44 C2    DXZ      -0.10701   -0.08526   -0.14004   -0.13307   -0.00251
  45 C2    DYZ       0.05282    0.32256    0.00077   -0.05024   -0.54588
  46 *C2   S1       -0.01634    0.00742   -0.01066    0.03795    0.00082
  47 *C2   S        -0.25975    0.10730   -0.03148    0.48368    0.00251
  48 *C2   PX        0.16476    0.07754    0.10309    0.17496    0.02612
  49 *C2   PY        0.00327   -0.03041   -0.00322    0.00078   -0.00168
  50 *C2   PZ        0.22185   -0.00560    0.04178   -0.07000    0.01674
  51 *C2   S'        0.05709    0.04370    0.12733   -1.41451   -0.06465
  52 *C2   PX'       0.23877    0.12269   -0.12345   -0.23602   -0.03528
  53 *C2   PY'       0.00857   -0.26764    0.01210    0.06096   -0.29498
  54 *C2   PZ'       0.05270    0.08607   -0.36501    0.53459   -0.00699
  55 *C2   DXX       0.16459   -0.09513   -0.18052   -0.30133    0.02208
  56 *C2   DYY      -0.27677    0.13908   -0.01006    0.47393   -0.00893
  57 *C2   DZZ       0.04267   -0.00630    0.19183   -0.07612   -0.00971
  58 *C2   DXY      -0.04342   -0.37007   -0.01176    0.06007    0.14076
  59 *C2   DXZ       0.10701   -0.08526    0.14004   -0.13307    0.00251
  60 *C2   DYZ      -0.05282    0.32256   -0.00077   -0.05024    0.54588
  61 *C3   S1        0.01787    0.01254   -0.01370    0.03017    0.00339
  62 *C3   S         0.21652    0.15083    0.06983    0.38860    0.05604
  63 *C3   PX        0.17569   -0.11713   -0.03357   -0.16851    0.04383
  64 *C3   PY        0.00056    0.02761    0.00862    0.01816   -0.01518
  65 *C3   PZ       -0.19714    0.01967   -0.07514   -0.03662   -0.01583
  66 *C3   S'       -0.06660   -0.88924    0.49233   -0.72929   -0.10425
  67 *C3   PX'       0.24007    0.20823   -0.03186   -0.46337   -0.07577
  68 *C3   PY'       0.00079    0.28411   -0.03511   -0.07114    0.21263
  69 *C3   PZ'      -0.00983    0.40657   -0.19689    0.46515    0.07797
  70 *C3   DXX      -0.09222   -0.10743   -0.17488   -0.27112   -0.02786
  71 *C3   DYY       0.28028    0.13065   -0.13889    0.33358    0.03758
  72 *C3   DZZ      -0.13506   -0.01001    0.35113    0.04270   -0.01370
  73 *C3   DXY      -0.00181   -0.34780   -0.01255    0.06319    0.08270
  74 *C3   DXZ       0.13729    0.07799    0.11275    0.12634    0.00878
  75 *C3   DYZ      -0.02622   -0.33828    0.00554    0.02487   -0.31000
  76 C3    S1        0.01787   -0.01254   -0.01370   -0.03017    0.00339
  77 C3    S         0.21652   -0.15083    0.06983   -0.38860    0.05604
  78 C3    PX        0.17569    0.11713   -0.03357    0.16851    0.04383
  79 C3    PY        0.00056   -0.02761    0.00862   -0.01816   -0.01518
  80 C3    PZ        0.19714    0.01967    0.07514   -0.03662    0.01583
  81 C3    S'       -0.06660    0.88924    0.49233    0.72929   -0.10425
  82 C3    PX'       0.24007   -0.20823   -0.03186    0.46337   -0.07577
  83 C3    PY'       0.00079   -0.28411   -0.03511    0.07114    0.21263
  84 C3    PZ'       0.00983    0.40657    0.19689    0.46515   -0.07797
  85 C3    DXX      -0.09222    0.10743   -0.17488    0.27112   -0.02786
  86 C3    DYY       0.28028   -0.13065   -0.13889   -0.33358    0.03758
  87 C3    DZZ      -0.13506    0.01001    0.35113   -0.04270   -0.01370
  88 C3    DXY      -0.00181    0.34780   -0.01255   -0.06319    0.08270
  89 C3    DXZ      -0.13729    0.07799   -0.11275    0.12634   -0.00878
  90 C3    DYZ       0.02622   -0.33828   -0.00554    0.02487    0.31000
  91 H2    S        -0.00289    0.02409    0.04270   -0.04543    0.00511
  92 H2    S'        0.03321    0.01083    0.10801    0.12353   -0.00261
  93 *H2   S        -0.00289   -0.02409    0.04270    0.04543    0.00511
  94 *H2   S'        0.03321   -0.01083    0.10801   -0.12353   -0.00261
  95 *H3   S         0.00162   -0.05850   -0.23039    0.00277    0.01338
  96 *H3   S'       -0.04346   -0.07092    0.13518   -0.03523   -0.00274
  97 H3    S         0.00162    0.05850   -0.23039   -0.00277    0.01338
  98 H3    S'       -0.04346    0.07092    0.13518    0.03523   -0.00274
  99 C7    S1        0.00699    0.00000    0.01957    0.00000   -0.01696
 100 C7    S         0.07547   -0.00000   -0.16896   -0.00000   -0.24192
 101 C7    PX        0.02683   -0.00000    0.14902    0.00000   -0.01424
 102 C7    PY       -0.01818    0.00000    0.00820    0.00000    0.05218
 103 C7    PZ        0.00000    0.04514    0.00000   -0.19240   -0.00000
 104 C7    S'       -0.54475    0.00000   -0.84250   -0.00000    0.90903
 105 C7    PX'      -0.14381    0.00000    2.54342    0.00000   -0.22497
 106 C7    PY'      -0.42989    0.00000   -0.02277   -0.00000    0.42482
 107 C7    PZ'      -0.00000   -1.06440   -0.00000    0.99704   -0.00000
 108 C7    DXX       0.07573   -0.00000   -0.41437   -0.00000    0.02791
 109 C7    DYY      -0.07374    0.00000    0.16015    0.00000   -0.03911
 110 C7    DZZ       0.01828    0.00000    0.21259    0.00000    0.05337
 111 C7    DXY      -0.09075    0.00000   -0.06041    0.00000   -0.19180
 112 C7    DXZ      -0.00000   -0.04621   -0.00000    0.12210    0.00000
 113 C7    DYZ       0.00000    0.13838    0.00000   -0.24380   -0.00000
 114 F1    S1        0.00614    0.02688    0.02639   -0.03212    0.00623
 115 F1    S        -0.03625    0.23421    0.57150   -0.21765   -0.02582
 116 F1    PX       -0.01364    0.00143    0.10795    0.03366    0.03142
 117 F1    PY       -0.05908    0.01049    0.01199    0.02269    0.02683
 118 F1    PZ       -0.00952   -0.07305    0.02325    0.12141   -0.03512
 119 F1    S'        0.01810   -0.86330   -1.44844    0.88921   -0.03559
 120 F1    PX'       0.06570    0.09676   -0.26651   -0.19606   -0.02858
 121 F1    PY'       0.14048   -0.14896   -0.17666    0.10391   -0.11158
 122 F1    PZ'      -0.00793    0.00235   -0.32680   -0.05264    0.03084
 123 F1    DXX       0.01765    0.04665   -0.00702    0.13062    0.06554
 124 F1    DYY       0.09061    0.03957    0.23313   -0.13100   -0.06363
 125 F1    DZZ      -0.08199    0.19690    0.19811   -0.29486    0.02060
 126 F1    DXY      -0.02055    0.02239   -0.12756   -0.00084    0.04810
 127 F1    DXZ       0.03751    0.03963   -0.26631   -0.05115   -0.08376
 128 F1    DYZ       0.03409    0.06006   -0.00976   -0.14266   -0.00682
 129 F2    S1       -0.02638    0.00000    0.01636    0.00000    0.00843
 130 F2    S        -0.20688    0.00000    0.52352    0.00000    0.31948
 131 F2    PX       -0.01183    0.00000    0.10617    0.00000   -0.06791
 132 F2    PY       -0.05549    0.00000   -0.05459   -0.00000   -0.06384
 133 F2    PZ       -0.00000   -0.09407   -0.00000    0.15319   -0.00000
 134 F2    S'        0.75146   -0.00000   -1.24345   -0.00000   -0.78118
 135 F2    PX'      -0.03260   -0.00000   -0.30507   -0.00000    0.17580
 136 F2    PY'      -0.09241    0.00000    0.35618    0.00000    0.15676
 137 F2    PZ'       0.00000    0.27387    0.00000   -0.36014    0.00000
 138 F2    DXX      -0.04715    0.00000   -0.05588    0.00000   -0.03529
 139 F2    DYY      -0.14226    0.00000    0.19668    0.00000    0.23132
 140 F2    DZZ      -0.08343    0.00000    0.19405    0.00000    0.02740
 141 F2    DXY      -0.02289    0.00000    0.25494    0.00000   -0.17493
 142 F2    DXZ       0.00000    0.00079    0.00000    0.03606   -0.00000
 143 F2    DYZ      -0.00000   -0.11445   -0.00000    0.12476   -0.00000
 144 F3    S1        0.00614   -0.02688    0.02639    0.03212    0.00623
 145 F3    S        -0.03625   -0.23421    0.57150    0.21765   -0.02582
 146 F3    PX       -0.01364   -0.00143    0.10795   -0.03366    0.03142
 147 F3    PY       -0.05908   -0.01049    0.01199   -0.02269    0.02683
 148 F3    PZ        0.00952   -0.07305   -0.02325    0.12141    0.03512
 149 F3    S'        0.01810    0.86330   -1.44844   -0.88921   -0.03559
 150 F3    PX'       0.06570   -0.09676   -0.26651    0.19606   -0.02858
 151 F3    PY'       0.14048    0.14896   -0.17666   -0.10391   -0.11158
 152 F3    PZ'       0.00793    0.00235    0.32680   -0.05264   -0.03084
 153 F3    DXX       0.01765   -0.04665   -0.00702   -0.13062    0.06554
 154 F3    DYY       0.09061   -0.03957    0.23313    0.13100   -0.06363
 155 F3    DZZ      -0.08199   -0.19690    0.19811    0.29486    0.02060
 156 F3    DXY      -0.02055   -0.02239   -0.12756    0.00084    0.04810
 157 F3    DXZ      -0.03751    0.03963    0.26631   -0.05115    0.08376
 158 F3    DYZ      -0.03409    0.06006    0.00976   -0.14266    0.00682
 159 Br1   S         0.00302    0.00000   -0.00002    0.00000    0.00043
 160 Br1   S         0.00498    0.00000   -0.00257    0.00000    0.00092
 161 Br1   PX        0.00554    0.00000   -0.00055    0.00000    0.00147
 162 Br1   PY       -0.00038    0.00000    0.00006    0.00000    0.00140
 163 Br1   PZ        0.00000   -0.00130    0.00000   -0.00457    0.00000
 164 Br1   S        -0.04074    0.00000   -0.00515    0.00000   -0.00447
 165 Br1   PX       -0.01975    0.00000    0.00198    0.00000   -0.00519
 166 Br1   PY        0.00130    0.00000   -0.00022    0.00000   -0.00456
 167 Br1   PZ        0.00000    0.00456    0.00000    0.01601    0.00000
 168 Br1   S         0.30536   -0.00000   -0.01929    0.00000    0.06318
 169 Br1   PX        0.10527   -0.00000   -0.00505    0.00000    0.02052
 170 Br1   PY       -0.00351    0.00000    0.00073    0.00000    0.00282
 171 Br1   PZ       -0.00000   -0.01743    0.00000   -0.05867    0.00000
 172 Br1   S         0.03974   -0.00000   -0.14452   -0.00000    0.00980
 173 Br1   PX        0.04700   -0.00000   -0.09424    0.00000    0.01359
 174 Br1   PY        0.00618   -0.00000    0.00274    0.00000   -0.03606
 175 Br1   PZ        0.00000    0.00453    0.00000   -0.02656    0.00000
 176 Br1   DXX       0.00020    0.00000    0.00580    0.00000   -0.00300
 177 Br1   DYY      -0.00047    0.00000   -0.00808    0.00000    0.00201
 178 Br1   DZZ       0.00692   -0.00000    0.00141    0.00000    0.00282
 179 Br1   DXY       0.00263   -0.00000   -0.00073    0.00000   -0.02074
 180 Br1   DXZ       0.00000    0.00472    0.00000    0.02307    0.00000
 181 Br1   DYZ       0.00000   -0.00035    0.00000   -0.00001    0.00000
 182 Br1   DXX       0.03793   -0.00000    0.00197    0.00000    0.00833
 183 Br1   DYY       0.04097   -0.00000    0.00809    0.00000    0.00740
 184 Br1   DZZ       0.03627   -0.00000    0.00328    0.00000    0.00693
 185 Br1   DXY      -0.00136    0.00000    0.00031    0.00000    0.01254
 186 Br1   DXZ       0.00000   -0.00162    0.00000   -0.00880    0.00000
 187 Br1   DYZ       0.00000   -0.00007    0.00000    0.00001    0.00000
 188 Br1   DXX       0.21177   -0.00000   -0.01444    0.00000    0.05089
 189 Br1   DYY       0.18197   -0.00000    0.03594    0.00000    0.02676
 190 Br1   DZZ       0.17168   -0.00000    0.01210    0.00000    0.02471
 191 Br1   DXY      -0.00457    0.00000    0.00257    0.00000    0.02685
 192 Br1   DXZ      -0.00000   -0.01738    0.00000   -0.08297    0.00000
 193 Br1   DYZ       0.00000    0.00276    0.00000   -0.00004    0.00000
  MO:                 156        157        158        159        160    
  Eigenvalues:       2.23323    2.28021    2.30949    2.37697    2.47973
          (ev)      60.76921   62.04782   62.84441   64.68062   67.47685

                       A"         A'         A"         A'         A'     
   1 *C1   S1        0.00000   -0.00096    0.00000    0.01088   -0.00552
   2 *C1   S        -0.00000   -0.00754    0.00000    0.08589   -0.06272
   3 *C1   PX       -0.00000    0.00032    0.00000    0.02960    0.03407
   4 *C1   PY        0.00000    0.05829    0.00000   -0.00801    0.02076
   5 *C1   PZ       -0.05640    0.00000    0.08798   -0.00000    0.00000
   6 *C1   S'        0.00000   -0.01513    0.00000   -0.08246    0.38732
   7 *C1   PX'      -0.00000   -0.02609    0.00000    0.01132    0.04959
   8 *C1   PY'       0.00000   -0.15316    0.00000   -0.06671    0.07103
   9 *C1   PZ'      -0.12438    0.00000    0.10919   -0.00000    0.00000
  10 *C1   DXX       0.00000    0.00249    0.00000   -0.04822    0.19132
  11 *C1   DYY      -0.00000   -0.01385    0.00000    0.09580   -0.04845
  12 *C1   DZZ       0.00000    0.00880    0.00000   -0.00322   -0.10915
  13 *C1   DXY       0.00000   -0.16367    0.00000   -0.03901    0.07408
  14 *C1   DXZ      -0.15054    0.00000    0.17631   -0.00000    0.00000
  15 *C1   DYZ       0.52156    0.00000    0.47318   -0.00000    0.00000
  16 *C4   S1        0.00000    0.00103    0.00000    0.05696   -0.01938
  17 *C4   S         0.00000    0.07595   -0.00000    0.43737    0.12709
  18 *C4   PX        0.00000    0.02388    0.00000    0.04566    0.11499
  19 *C4   PY       -0.00000   -0.06325    0.00000   -0.00333    0.01721
  20 *C4   PZ       -0.20725    0.00000    0.24635    0.00000    0.00000
  21 *C4   S'        0.00000   -0.15694   -0.00000   -3.03218    0.24088
  22 *C4   PX'      -0.00000   -0.56464   -0.00000   -4.42751   -0.94530
  23 *C4   PY'      -0.00000    0.20368   -0.00000    0.15398    0.25965
  24 *C4   PZ'      -1.16954    0.00000    1.30159   -0.00000    0.00000
  25 *C4   DXX      -0.00000   -0.01010    0.00000   -0.29126    0.16114
  26 *C4   DYY       0.00000   -0.00229    0.00000    0.19618   -0.20143
  27 *C4   DZZ       0.00000    0.00745    0.00000    0.13657   -0.09250
  28 *C4   DXY       0.00000   -0.01413    0.00000   -0.02486    0.62667
  29 *C4   DXZ       0.02047    0.00000   -0.10610    0.00000    0.00000
  30 *C4   DYZ       0.45782    0.00000    0.45248   -0.00000    0.00000
  31 C2    S1        0.00087    0.00049   -0.00168    0.00779    0.00506
  32 C2    S        -0.11895   -0.00204    0.11805    0.12039    0.03750
  33 C2    PX       -0.01323    0.01067    0.02097    0.06701   -0.03095
  34 C2    PY        0.07587    0.05962    0.04974   -0.01883    0.01176
  35 C2    PZ       -0.08924   -0.00246    0.09374    0.03241    0.03346
  36 C2    S'        0.17168    0.17004   -0.00845    0.36646    0.14822
  37 C2    PX'       0.10832    0.07275   -0.03818    0.07741    0.17283
  38 C2    PY'       0.06674    0.24967    0.05419    0.06748   -0.09553
  39 C2    PZ'       0.13208    0.01938   -0.14069   -0.14073   -0.13448
  40 C2    DXX      -0.05647    0.00405    0.03995    0.03173    0.04033
  41 C2    DYY      -0.01957   -0.00184    0.02627    0.02678    0.05596
  42 C2    DZZ       0.05227   -0.00073   -0.03769   -0.04381   -0.10792
  43 C2    DXY      -0.09158    0.58776   -0.18935   -0.04748   -0.01264
  44 C2    DXZ       0.11968   -0.00485   -0.15040    0.01895   -0.03525
  45 C2    DYZ       0.26272    0.08403    0.21984    0.04883   -0.10566
  46 *C2   S1       -0.00087    0.00049    0.00168    0.00779    0.00506
  47 *C2   S         0.11895   -0.00204   -0.11805    0.12039    0.03750
  48 *C2   PX        0.01323    0.01067   -0.02097    0.06701   -0.03095
  49 *C2   PY       -0.07587    0.05962   -0.04974   -0.01883    0.01176
  50 *C2   PZ       -0.08924    0.00246    0.09374   -0.03241   -0.03346
  51 *C2   S'       -0.17168    0.17004    0.00845    0.36646    0.14822
  52 *C2   PX'      -0.10832    0.07275    0.03818    0.07741    0.17283
  53 *C2   PY'      -0.06674    0.24967   -0.05419    0.06748   -0.09553
  54 *C2   PZ'       0.13208   -0.01938   -0.14069    0.14073    0.13448
  55 *C2   DXX       0.05647    0.00405   -0.03995    0.03173    0.04033
  56 *C2   DYY       0.01957   -0.00184   -0.02627    0.02678    0.05596
  57 *C2   DZZ      -0.05227   -0.00073    0.03769   -0.04381   -0.10792
  58 *C2   DXY       0.09158    0.58776    0.18935   -0.04748   -0.01264
  59 *C2   DXZ       0.11968    0.00485   -0.15040   -0.01895    0.03525
  60 *C2   DYZ       0.26272   -0.08403    0.21984   -0.04883    0.10566
  61 *C3   S1       -0.01534    0.00395    0.02065    0.02288    0.00367
  62 *C3   S        -0.16019    0.01709    0.16125    0.10568   -0.06077
  63 *C3   PX        0.10005   -0.01845   -0.08853    0.04229   -0.04497
  64 *C3   PY       -0.03974   -0.05371   -0.07462    0.02704    0.01091
  65 *C3   PZ       -0.01200    0.00576    0.04122    0.01967    0.01375
  66 *C3   S'        1.12998   -0.26025   -1.20144   -1.10601   -0.38326
  67 *C3   PX'       0.14803    0.18468   -0.40564    0.61925    0.43255
  68 *C3   PY'      -0.06113   -0.24555   -0.01956   -0.11606    0.07163
  69 *C3   PZ'      -0.54169    0.15981    0.58659    0.77207    0.29445
  70 *C3   DXX      -0.08528    0.01510    0.09326   -0.02944    0.11274
  71 *C3   DYY      -0.17013    0.01957    0.21627    0.20949    0.02164
  72 *C3   DZZ       0.25437   -0.02479   -0.31674   -0.13896   -0.10955
  73 *C3   DXY      -0.24000    0.60130   -0.08034   -0.07621    0.03157
  74 *C3   DXZ      -0.06763    0.00511    0.06342   -0.07394   -0.07166
  75 *C3   DYZ       0.20760    0.02933    0.19195    0.06071   -0.20596
  76 C3    S1        0.01534    0.00395   -0.02065    0.02288    0.00367
  77 C3    S         0.16019    0.01709   -0.16125    0.10568   -0.06077
  78 C3    PX       -0.10005   -0.01845    0.08853    0.04229   -0.04497
  79 C3    PY        0.03974   -0.05371    0.07462    0.02704    0.01091
  80 C3    PZ       -0.01200   -0.00576    0.04122   -0.01967   -0.01375
  81 C3    S'       -1.12998   -0.26025    1.20144   -1.10601   -0.38326
  82 C3    PX'      -0.14803    0.18468    0.40564    0.61925    0.43255
  83 C3    PY'       0.06113   -0.24555    0.01956   -0.11606    0.07163
  84 C3    PZ'      -0.54169   -0.15981    0.58659   -0.77207   -0.29445
  85 C3    DXX       0.08528    0.01510   -0.09326   -0.02944    0.11274
  86 C3    DYY       0.17013    0.01957   -0.21627    0.20949    0.02164
  87 C3    DZZ      -0.25437   -0.02479    0.31674   -0.13896   -0.10955
  88 C3    DXY       0.24000    0.60130    0.08034   -0.07621    0.03157
  89 C3    DXZ      -0.06763   -0.00511    0.06342    0.07394    0.07166
  90 C3    DYZ       0.20760   -0.02933    0.19195   -0.06071    0.20596
  91 H2    S        -0.07734    0.00036    0.08113   -0.02581    0.04498
  92 H2    S'        0.05044    0.00245   -0.05306   -0.08855   -0.05187
  93 *H2   S         0.07734    0.00036   -0.08113   -0.02581    0.04498
  94 *H2   S'       -0.05044    0.00245    0.05306   -0.08855   -0.05187
  95 *H3   S        -0.09184   -0.01126    0.14790    0.04734    0.01168
  96 *H3   S'        0.08468   -0.07013   -0.07668   -0.35453   -0.20723
  97 H3    S         0.09184   -0.01126   -0.14790    0.04734    0.01168
  98 H3    S'       -0.08468   -0.07013    0.07668   -0.35453   -0.20723
  99 C7    S1        0.00000   -0.01256    0.00000   -0.12086   -0.00589
 100 C7    S        -0.00000   -0.13673   -0.00000   -2.04005   -0.05174
 101 C7    PX        0.00000   -0.02002    0.00000   -0.25062    0.05186
 102 C7    PY        0.00000    0.06812    0.00000    0.01051   -0.29090
 103 C7    PZ        0.12567   -0.00000   -0.19342    0.00000   -0.00000
 104 C7    S'        0.00000    0.79997    0.00000    7.68831    0.79413
 105 C7    PX'      -0.00000   -0.12545   -0.00000   -2.36942    0.23515
 106 C7    PY'       0.00000   -0.32958    0.00000   -0.37053   -1.45653
 107 C7    PZ'       1.02105   -0.00000   -0.57246    0.00000   -0.00000
 108 C7    DXX       0.00000   -0.03458    0.00000    0.05079   -0.03413
 109 C7    DYY      -0.00000   -0.03146    0.00000    0.11400    0.24697
 110 C7    DZZ       0.00000    0.07956    0.00000    0.12426   -0.23507
 111 C7    DXY      -0.00000    0.03182   -0.00000    0.05668    0.21508
 112 C7    DXZ      -0.26477    0.00000    0.40939    0.00000    0.00000
 113 C7    DYZ       0.07732   -0.00000   -0.12309    0.00000   -0.00000
 114 F1    S1       -0.01414    0.00864   -0.01127    0.02528    0.00876
 115 F1    S        -0.39516    0.12219    0.35199    0.56955    0.47539
 116 F1    PX        0.08368   -0.00799   -0.11541   -0.07313   -0.03294
 117 F1    PY       -0.08167   -0.03546    0.08852   -0.02977   -0.08008
 118 F1    PZ       -0.01938    0.00252    0.08138   -0.00152    0.13301
 119 F1    S'        0.98848   -0.38805   -0.59854   -1.76046   -1.16249
 120 F1    PX'      -0.21036    0.05681    0.21208    0.41959    0.10292
 121 F1    PY'       0.21555    0.04639   -0.15665   -0.07123    0.24500
 122 F1    PZ'       0.04206   -0.08031   -0.07470   -0.28713   -0.47042
 123 F1    DXX       0.03299   -0.00761   -0.11957    0.04292    0.10163
 124 F1    DYY      -0.08211    0.03102    0.06740   -0.04424    0.26813
 125 F1    DZZ      -0.26160    0.08436    0.14684    0.37360   -0.13474
 126 F1    DXY      -0.19850    0.00982    0.19427    0.02343   -0.24157
 127 F1    DXZ      -0.09814    0.00387    0.13487    0.03568    0.17512
 128 F1    DYZ      -0.03538    0.05997    0.02979    0.45245    0.14594
 129 F2    S1        0.00000    0.00303    0.00000    0.02346   -0.00472
 130 F2    S         0.00000   -0.00674    0.00000    0.42495   -0.66109
 131 F2    PX       -0.00000    0.02639   -0.00000   -0.04677    0.17812
 132 F2    PY       -0.00000   -0.02935    0.00000    0.01676    0.13249
 133 F2    PZ        0.11506   -0.00000   -0.05142    0.00000    0.00000
 134 F2    S'       -0.00000    0.01023   -0.00000   -1.38115    1.43109
 135 F2    PX'       0.00000   -0.05219    0.00000    0.32504   -0.48263
 136 F2    PY'       0.00000    0.06584    0.00000    0.26847   -0.27678
 137 F2    PZ'      -0.31942    0.00000    0.15509   -0.00000    0.00000
 138 F2    DXX      -0.00000    0.10124    0.00000    0.09227    0.04725
 139 F2    DYY       0.00000   -0.07445    0.00000    0.48791   -0.22205
 140 F2    DZZ       0.00000    0.00381    0.00000   -0.27231   -0.13488
 141 F2    DXY      -0.00000    0.01285   -0.00000   -0.03139    0.32210
 142 F2    DXZ       0.21292   -0.00000   -0.15461    0.00000    0.00000
 143 F2    DYZ       0.16436   -0.00000   -0.05548    0.00000    0.00000
 144 F3    S1        0.01414    0.00864    0.01127    0.02528    0.00876
 145 F3    S         0.39516    0.12219   -0.35199    0.56955    0.47539
 146 F3    PX       -0.08368   -0.00799    0.11541   -0.07313   -0.03294
 147 F3    PY        0.08167   -0.03546   -0.08852   -0.02977   -0.08008
 148 F3    PZ       -0.01938   -0.00252    0.08138    0.00152   -0.13301
 149 F3    S'       -0.98848   -0.38805    0.59854   -1.76046   -1.16249
 150 F3    PX'       0.21036    0.05681   -0.21208    0.41959    0.10292
 151 F3    PY'      -0.21555    0.04639    0.15665   -0.07123    0.24500
 152 F3    PZ'       0.04206    0.08031   -0.07470    0.28713    0.47042
 153 F3    DXX      -0.03299   -0.00761    0.11957    0.04292    0.10163
 154 F3    DYY       0.08211    0.03102   -0.06740   -0.04424    0.26813
 155 F3    DZZ       0.26160    0.08436   -0.14684    0.37360   -0.13474
 156 F3    DXY       0.19850    0.00982   -0.19427    0.02343   -0.24157
 157 F3    DXZ      -0.09814   -0.00387    0.13487   -0.03568   -0.17512
 158 F3    DYZ      -0.03538   -0.05997    0.02979   -0.45245   -0.14594
 159 Br1   S         0.00000   -0.00013    0.00000    0.00024   -0.00093
 160 Br1   S         0.00000   -0.00013    0.00000    0.00113   -0.00105
 161 Br1   PX        0.00000   -0.00033    0.00000    0.00187   -0.00470
 162 Br1   PY        0.00000   -0.00060    0.00000    0.00027   -0.00015
 163 Br1   PZ        0.00000    0.00000    0.00005    0.00000    0.00000
 164 Br1   S         0.00000    0.00198    0.00000   -0.00001    0.00949
 165 Br1   PX        0.00000    0.00117    0.00000   -0.00658    0.01656
 166 Br1   PY        0.00000    0.00196    0.00000   -0.00098    0.00058
 167 Br1   PZ       -0.00006    0.00000   -0.00012    0.00000    0.00000
 168 Br1   S        -0.00000   -0.01459    0.00000    0.06664   -0.18242
 169 Br1   PX       -0.00000   -0.00536    0.00000    0.02186   -0.05758
 170 Br1   PY        0.00000   -0.00051    0.00000    0.00458   -0.00441
 171 Br1   PZ        0.00226    0.00000   -0.00140    0.00000    0.00000
 172 Br1   S         0.00000    0.00494    0.00000    0.03823    0.05087
 173 Br1   PX       -0.00000    0.00065    0.00000    0.03191    0.00738
 174 Br1   PY       -0.00000    0.00304    0.00000    0.00216    0.00132
 175 Br1   PZ        0.01365    0.00000   -0.01569    0.00000    0.00000
 176 Br1   DXX       0.00000    0.00054    0.00000   -0.00561    0.00925
 177 Br1   DYY       0.00000   -0.00019    0.00000    0.00491   -0.00376
 178 Br1   DZZ       0.00000   -0.00063    0.00000    0.00315   -0.01137
 179 Br1   DXY       0.00000    0.01099    0.00000   -0.00010   -0.00289
 180 Br1   DXZ       0.00121    0.00000   -0.00110    0.00000    0.00000
 181 Br1   DYZ       0.00693    0.00000    0.00634    0.00000    0.00000
 182 Br1   DXX       0.00000   -0.00219    0.00000    0.00878   -0.02778
 183 Br1   DYY       0.00000   -0.00207    0.00000    0.00527   -0.02620
 184 Br1   DZZ       0.00000   -0.00186    0.00000    0.00637   -0.02110
 185 Br1   DXY       0.00000   -0.00676    0.00000   -0.00013    0.00209
 186 Br1   DXZ      -0.00111    0.00000    0.00106    0.00000    0.00000
 187 Br1   DYZ      -0.00432    0.00000   -0.00416    0.00000    0.00000
 188 Br1   DXX      -0.00000   -0.01278    0.00000    0.05611   -0.15197
 189 Br1   DYY      -0.00000   -0.00902    0.00000    0.01289   -0.08573
 190 Br1   DZZ      -0.00000   -0.00758    0.00000    0.01669   -0.07019
 191 Br1   DXY       0.00000   -0.01752    0.00000    0.00298    0.00272
 192 Br1   DXZ       0.00358    0.00000   -0.00397    0.00000    0.00000
 193 Br1   DYZ      -0.01260    0.00000   -0.01092    0.00000    0.00000
  MO:                 161        162        163        164        165    
  Eigenvalues:       2.49526    2.59063    2.60216    2.62025    2.69276
          (ev)      67.89943   70.49467   70.80853   71.30054   73.27368

                       A'         A"         A'         A"         A'     
   1 *C1   S1        0.07677   -0.00000   -0.06359    0.00000   -0.07355
   2 *C1   S         0.25297   -0.00000   -0.08477   -0.00000   -0.59245
   3 *C1   PX       -0.20252    0.00000    0.02745   -0.00000    0.11021
   4 *C1   PY        0.00978    0.00000    0.00016    0.00000    0.00100
   5 *C1   PZ       -0.00000    0.01967    0.00000    0.09045    0.00000
   6 *C1   S'       -3.08387    0.00000    1.91222   -0.00000    6.45411
   7 *C1   PX'      -1.33181    0.00000    1.07878   -0.00000    3.10275
   8 *C1   PY'       0.02004   -0.00000    0.01023    0.00000   -0.04931
   9 *C1   PZ'       0.00000    1.12179    0.00000    0.99422    0.00000
  10 *C1   DXX      -0.45216    0.00000   -0.31283    0.00000    0.50453
  11 *C1   DYY       0.59989   -0.00000   -0.43562    0.00000   -0.35963
  12 *C1   DZZ      -0.22145    0.00000    0.59956   -0.00000   -0.02403
  13 *C1   DXY       0.02349   -0.00000    0.01322    0.00000   -0.01995
  14 *C1   DXZ       0.00000    0.31337    0.00000    0.35917    0.00000
  15 *C1   DYZ      -0.00000    0.28531   -0.00000   -0.45406   -0.00000
  16 *C4   S1        0.06673    0.00000   -0.06638    0.00000    0.06735
  17 *C4   S         0.25230    0.00000    0.02622    0.00000    0.35693
  18 *C4   PX        0.04999    0.00000   -0.14449    0.00000    0.12489
  19 *C4   PY       -0.00410    0.00000    0.02333   -0.00000   -0.02869
  20 *C4   PZ        0.00000    0.02254    0.00000    0.14953    0.00000
  21 *C4   S'       -2.90951   -0.00000    1.36119   -0.00000   -6.13166
  22 *C4   PX'       1.40109    0.00000    0.05025   -0.00000    4.37568
  23 *C4   PY'       0.16264    0.00000   -0.05221   -0.00000    0.10344
  24 *C4   PZ'      -0.00000   -1.03263   -0.00000   -0.54482    0.00000
  25 *C4   DXX      -0.34325   -0.00000   -0.19777    0.00000    0.01751
  26 *C4   DYY       0.48323    0.00000   -0.46472    0.00000    0.28772
  27 *C4   DZZ      -0.12796   -0.00000    0.64475   -0.00000   -0.29698
  28 *C4   DXY       0.14692   -0.00000    0.14755   -0.00000   -0.09501
  29 *C4   DXZ       0.00000    0.24962    0.00000   -0.02261   -0.00000
  30 *C4   DYZ       0.00000   -0.21135    0.00000    0.46445   -0.00000
  31 C2    S1       -0.04039   -0.04947    0.03485   -0.03667    0.06944
  32 C2    S        -0.17007   -0.22235    0.04150   -0.12197    0.55442
  33 C2    PX       -0.18348    0.08799    0.15787    0.05275   -0.03626
  34 C2    PY        0.00785   -0.00017   -0.00261   -0.00041    0.00596
  35 C2    PZ        0.14802    0.04859   -0.21707    0.09094   -0.04422
  36 C2    S'        1.49001    2.17593   -1.53182    1.79218   -6.08263
  37 C2    PX'      -0.12632    0.36125   -0.47343    0.21852   -1.70923
  38 C2    PY'      -0.00907    0.00625   -0.02322    0.00453    0.02494
  39 C2    PZ'       0.91141    0.86037   -0.58415    0.63314   -3.01381
  40 C2    DXX      -0.21243    0.21828   -0.34411    0.12418   -0.02151
  41 C2    DYY      -0.32633   -0.36979    0.23871   -0.26267    0.34894
  42 C2    DZZ       0.53590    0.20385    0.10538    0.20008   -0.39963
  43 C2    DXY       0.00542   -0.24657   -0.00657    0.39452    0.01534
  44 C2    DXZ      -0.08464    0.31289    0.17731    0.13480   -0.18454
  45 C2    DYZ      -0.01707    0.14294   -0.02115   -0.22958    0.00876
  46 *C2   S1       -0.04039    0.04947    0.03485    0.03667    0.06944
  47 *C2   S        -0.17007    0.22235    0.04150    0.12197    0.55442
  48 *C2   PX       -0.18348   -0.08799    0.15787   -0.05275   -0.03626
  49 *C2   PY        0.00785    0.00017   -0.00261    0.00041    0.00596
  50 *C2   PZ       -0.14802    0.04859    0.21707    0.09094    0.04422
  51 *C2   S'        1.49001   -2.17593   -1.53182   -1.79218   -6.08263
  52 *C2   PX'      -0.12632   -0.36125   -0.47343   -0.21852   -1.70923
  53 *C2   PY'      -0.00907   -0.00625   -0.02322   -0.00453    0.02494
  54 *C2   PZ'      -0.91141    0.86037    0.58415    0.63314    3.01381
  55 *C2   DXX      -0.21243   -0.21828   -0.34411   -0.12418   -0.02151
  56 *C2   DYY      -0.32633    0.36979    0.23871    0.26267    0.34894
  57 *C2   DZZ       0.53590   -0.20385    0.10538   -0.20008   -0.39963
  58 *C2   DXY       0.00542    0.24657   -0.00657   -0.39452    0.01534
  59 *C2   DXZ       0.08464    0.31289   -0.17731    0.13480    0.18454
  60 *C2   DYZ       0.01707    0.14294    0.02115   -0.22958   -0.00876
  61 *C3   S1       -0.03426   -0.05301    0.01895   -0.02546   -0.07239
  62 *C3   S        -0.13502   -0.27805   -0.02629   -0.17964   -0.56590
  63 *C3   PX        0.02273   -0.09335   -0.34070   -0.05444    0.05728
  64 *C3   PY       -0.00125   -0.01363    0.00701   -0.00267   -0.00960
  65 *C3   PZ       -0.09964   -0.02156    0.21669    0.04260   -0.11775
  66 *C3   S'        1.36592    2.24023    0.09764    1.31990    6.28772
  67 *C3   PX'       0.06481   -0.31437   -0.43639   -0.51534   -1.90261
  68 *C3   PY'      -0.01612    0.01608    0.05087    0.01308   -0.02138
  69 *C3   PZ'      -0.84760   -0.84417    0.17515   -0.46423   -3.25896
  70 *C3   DXX      -0.00002    0.26952   -0.01745    0.20519    0.11571
  71 *C3   DYY      -0.27928   -0.39892    0.14561   -0.16704   -0.35984
  72 *C3   DZZ       0.33128    0.15886   -0.05223   -0.03691    0.32919
  73 *C3   DXY       0.01374    0.21531   -0.00544   -0.40752    0.00294
  74 *C3   DXZ      -0.04062    0.31762    0.38562    0.25958    0.05451
  75 *C3   DYZ      -0.02004   -0.12104   -0.06484    0.22954    0.05628
  76 C3    S1       -0.03426    0.05301    0.01895    0.02546   -0.07239
  77 C3    S        -0.13502    0.27805   -0.02629    0.17964   -0.56590
  78 C3    PX        0.02273    0.09335   -0.34070    0.05444    0.05728
  79 C3    PY       -0.00125    0.01363    0.00701    0.00267   -0.00960
  80 C3    PZ        0.09964   -0.02156   -0.21669    0.04260    0.11775
  81 C3    S'        1.36592   -2.24023    0.09764   -1.31990    6.28772
  82 C3    PX'       0.06481    0.31437   -0.43639    0.51534   -1.90261
  83 C3    PY'      -0.01612   -0.01608    0.05087   -0.01308   -0.02138
  84 C3    PZ'       0.84760   -0.84417   -0.17515   -0.46423    3.25896
  85 C3    DXX      -0.00002   -0.26952   -0.01745   -0.20519    0.11571
  86 C3    DYY      -0.27928    0.39892    0.14561    0.16704   -0.35984
  87 C3    DZZ       0.33128   -0.15886   -0.05223    0.03691    0.32919
  88 C3    DXY       0.01374   -0.21531   -0.00544    0.40752    0.00294
  89 C3    DXZ       0.04062    0.31762   -0.38562    0.25958   -0.05451
  90 C3    DYZ       0.02004   -0.12104    0.06484    0.22954   -0.05628
  91 H2    S        -0.17536   -0.25421   -0.07501   -0.16742    0.12321
  92 H2    S'        0.24300    0.27619   -0.12366    0.18279   -0.83593
  93 *H2   S        -0.17536    0.25421   -0.07501    0.16742    0.12321
  94 *H2   S'        0.24300   -0.27619   -0.12366   -0.18279   -0.83593
  95 *H3   S        -0.13343   -0.25806   -0.11760   -0.10238   -0.03237
  96 *H3   S'        0.25241    0.25711    0.08555    0.16240    0.93089
  97 H3    S        -0.13343    0.25806   -0.11760    0.10238   -0.03237
  98 H3    S'        0.25241   -0.25711    0.08555   -0.16240    0.93089
  99 C7    S1       -0.00015    0.00000    0.02829   -0.00000    0.03301
 100 C7    S         0.35712   -0.00000    0.29898   -0.00000    0.08821
 101 C7    PX       -0.14678   -0.00000   -0.09210    0.00000   -0.02011
 102 C7    PY       -0.05846    0.00000   -0.09023    0.00000   -0.04440
 103 C7    PZ        0.00000   -0.00766   -0.00000   -0.04661    0.00000
 104 C7    S'       -1.06142   -0.00000   -1.37401    0.00000   -2.35217
 105 C7    PX'      -0.53838   -0.00000   -0.39772    0.00000   -0.24798
 106 C7    PY'      -0.65092    0.00000   -0.01370    0.00000   -0.22794
 107 C7    PZ'       0.00000   -0.43724    0.00000    0.31600    0.00000
 108 C7    DXX      -0.10039   -0.00000   -0.27492    0.00000   -0.38533
 109 C7    DYY       0.10010    0.00000    0.05531   -0.00000    0.37834
 110 C7    DZZ      -0.12189    0.00000    0.19762   -0.00000    0.01084
 111 C7    DXY      -0.02985   -0.00000    0.17213    0.00000   -0.33462
 112 C7    DXZ       0.00000   -0.10607    0.00000    0.09186    0.00000
 113 C7    DYZ       0.00000   -0.20668    0.00000    0.01507    0.00000
 114 F1    S1       -0.00583    0.01197   -0.00621   -0.01115    0.00107
 115 F1    S        -0.04421    0.18722   -0.22831    0.01017   -0.23888
 116 F1    PX       -0.09512   -0.03543   -0.05703   -0.03879   -0.05370
 117 F1    PY       -0.05493    0.03049   -0.01345    0.00213   -0.05176
 118 F1    PZ        0.00146   -0.00427   -0.01491    0.02180   -0.04495
 119 F1    S'        0.21985   -0.52331    0.65436    0.14380    0.60629
 120 F1    PX'       0.24664    0.11385    0.14990    0.06663    0.17495
 121 F1    PY'       0.24170   -0.12161    0.09486    0.03487    0.23773
 122 F1    PZ'       0.06014   -0.00589    0.18013   -0.01180    0.17980
 123 F1    DXX      -0.09739    0.03870   -0.14782   -0.09456   -0.07712
 124 F1    DYY       0.11586   -0.01974   -0.04915    0.02904    0.10414
 125 F1    DZZ      -0.06009    0.15343    0.09734   -0.02005   -0.07057
 126 F1    DXY       0.00321    0.06188    0.11383    0.02346    0.01664
 127 F1    DXZ       0.18474   -0.05153    0.23515    0.03673    0.19648
 128 F1    DYZ       0.13151   -0.03071    0.01682    0.00641    0.17356
 129 F2    S1       -0.01558    0.00000    0.00573    0.00000   -0.00688
 130 F2    S        -0.47806   -0.00000   -0.33538    0.00000   -0.35464
 131 F2    PX       -0.01664   -0.00000   -0.02271    0.00000   -0.06329
 132 F2    PY        0.04329    0.00000    0.08073   -0.00000    0.05372
 133 F2    PZ        0.00000   -0.07540    0.00000    0.01962    0.00000
 134 F2    S'        1.28511    0.00000    0.73805   -0.00000    0.96318
 135 F2    PX'       0.02905    0.00000    0.06121   -0.00000    0.21782
 136 F2    PY'      -0.30974   -0.00000   -0.30152    0.00000   -0.35411
 137 F2    PZ'       0.00000    0.24223    0.00000   -0.07745   -0.00000
 138 F2    DXX      -0.11690   -0.00000   -0.03358    0.00000   -0.26283
 139 F2    DYY      -0.06562    0.00000    0.05761   -0.00000    0.21102
 140 F2    DZZ      -0.08835   -0.00000   -0.05582    0.00000   -0.07616
 141 F2    DXY      -0.15683   -0.00000   -0.07735    0.00000   -0.34869
 142 F2    DXZ       0.00000   -0.16995   -0.00000   -0.00306    0.00000
 143 F2    DYZ       0.00000   -0.21042    0.00000    0.05566    0.00000
 144 F3    S1       -0.00583   -0.01197   -0.00621    0.01115    0.00107
 145 F3    S        -0.04421   -0.18722   -0.22831   -0.01017   -0.23888
 146 F3    PX       -0.09512    0.03543   -0.05703    0.03879   -0.05370
 147 F3    PY       -0.05493   -0.03049   -0.01345   -0.00213   -0.05176
 148 F3    PZ       -0.00146   -0.00427    0.01491    0.02180    0.04495
 149 F3    S'        0.21985    0.52331    0.65436   -0.14380    0.60629
 150 F3    PX'       0.24664   -0.11385    0.14990   -0.06663    0.17495
 151 F3    PY'       0.24170    0.12161    0.09486   -0.03487    0.23773
 152 F3    PZ'      -0.06014   -0.00589   -0.18013   -0.01180   -0.17980
 153 F3    DXX      -0.09739   -0.03870   -0.14782    0.09456   -0.07712
 154 F3    DYY       0.11586    0.01974   -0.04915   -0.02904    0.10414
 155 F3    DZZ      -0.06009   -0.15343    0.09734    0.02005   -0.07057
 156 F3    DXY       0.00321   -0.06188    0.11383   -0.02346    0.01664
 157 F3    DXZ      -0.18474   -0.05153   -0.23515    0.03673   -0.19648
 158 F3    DYZ      -0.13151   -0.03071   -0.01682    0.00641   -0.17356
 159 Br1   S         0.00201    0.00000    0.00049    0.00000    0.00009
 160 Br1   S         0.00401    0.00000   -0.00402    0.00000   -0.00732
 161 Br1   PX        0.00837    0.00000    0.00701    0.00000   -0.00451
 162 Br1   PY       -0.00015    0.00000   -0.00010    0.00000    0.00003
 163 Br1   PZ        0.00000   -0.00364    0.00000   -0.00281    0.00000
 164 Br1   S        -0.01567    0.00000   -0.01099    0.00000   -0.03329
 165 Br1   PX       -0.02919    0.00000   -0.02494    0.00000    0.01508
 166 Br1   PY        0.00055    0.00000    0.00038    0.00000   -0.00009
 167 Br1   PZ        0.00000    0.01305    0.00000    0.01013    0.00000
 168 Br1   S         0.42596   -0.00000    0.15038   -0.00000   -0.34596
 169 Br1   PX        0.07014    0.00000    0.11364   -0.00000    0.04153
 170 Br1   PY       -0.00211    0.00000   -0.00204    0.00000   -0.00039
 171 Br1   PZ        0.00000   -0.06029   -0.00000   -0.04963    0.00000
 172 Br1   S        -0.30050    0.00000    0.01801    0.00000    0.22211
 173 Br1   PX       -0.12000    0.00000    0.01634   -0.00000    0.08025
 174 Br1   PY        0.00321    0.00000   -0.00092    0.00000    0.00215
 175 Br1   PZ        0.00000   -0.06470   -0.00000   -0.05577    0.00000
 176 Br1   DXX      -0.01925    0.00000   -0.00830    0.00000    0.02799
 177 Br1   DYY       0.00821    0.00000    0.00054    0.00000   -0.01971
 178 Br1   DZZ       0.02561    0.00000    0.01305    0.00000   -0.02642
 179 Br1   DXY      -0.00038    0.00000   -0.00022    0.00000   -0.00072
 180 Br1   DXZ       0.00000    0.01211    0.00000    0.00669    0.00000
 181 Br1   DYZ       0.00000    0.00440    0.00000   -0.00748    0.00000
 182 Br1   DXX       0.06024    0.00000    0.03432   -0.00000   -0.04408
 183 Br1   DYY       0.05643    0.00000    0.03780   -0.00000   -0.02360
 184 Br1   DZZ       0.04514    0.00000    0.02842   -0.00000   -0.01843
 185 Br1   DXY       0.00045    0.00000    0.00033    0.00000    0.00033
 186 Br1   DXZ       0.00000   -0.00496    0.00000   -0.00173    0.00000
 187 Br1   DYZ       0.00000   -0.00345    0.00000    0.00584    0.00000
 188 Br1   DXX       0.31355   -0.00000    0.17398   -0.00000   -0.18389
 189 Br1   DYY       0.19167    0.00000    0.09943   -0.00000   -0.03930
 190 Br1   DZZ       0.15191    0.00000    0.07937   -0.00000   -0.02786
 191 Br1   DXY      -0.00039    0.00000   -0.00112    0.00000    0.00273
 192 Br1   DXZ       0.00000   -0.06710   -0.00000   -0.05147    0.00000
 193 Br1   DYZ       0.00000   -0.00586    0.00000    0.01096    0.00000
  MO:                 166        167        168        169        170    
  Eigenvalues:       2.71251    2.73635    2.73680    2.76192    2.86154
          (ev)      73.81129   74.46002   74.47210   75.15580   77.86647

                       A"         A"         A'         A'         A"     
   1 *C1   S1        0.00000   -0.00000    0.02731   -0.01687    0.00000
   2 *C1   S         0.00000    0.00000   -0.33153   -0.07299    0.00000
   3 *C1   PX        0.00000    0.00000   -0.20493    0.09546   -0.00000
   4 *C1   PY        0.00000    0.00000   -0.00208   -0.00386    0.00000
   5 *C1   PZ        0.31425   -0.38490   -0.00000    0.00000    0.32310
   6 *C1   S'       -0.00000    0.00000   -0.63423    1.95224   -0.00000
   7 *C1   PX'      -0.00000    0.00000   -0.13731    0.83329   -0.00000
   8 *C1   PY'       0.00000   -0.00000    0.01773    0.01657    0.00000
   9 *C1   PZ'       1.48155   -1.40986   -0.00000    0.00000    1.58415
  10 *C1   DXX      -0.00000   -0.00000    0.24774    0.14383    0.00000
  11 *C1   DYY       0.00000   -0.00000    0.17893   -0.07122    0.00000
  12 *C1   DZZ       0.00000    0.00000   -0.44045    0.01401   -0.00000
  13 *C1   DXY       0.00000   -0.00000    0.00704    0.01368    0.00000
  14 *C1   DXZ       0.68898   -0.12447   -0.00000   -0.00000    0.69045
  15 *C1   DYZ       0.09337    0.01534    0.00000   -0.00000   -0.02492
  16 *C4   S1       -0.00000    0.00000   -0.00478    0.05661    0.00000
  17 *C4   S        -0.00000   -0.00000    0.19953    0.12969   -0.00000
  18 *C4   PX        0.00000    0.00000   -0.12232    0.13005    0.00000
  19 *C4   PY        0.00000   -0.00000    0.02808    0.07005    0.00000
  20 *C4   PZ        0.28219    0.33627    0.00000   -0.00000   -0.08805
  21 *C4   S'        0.00000   -0.00000    0.34792   -3.33322    0.00000
  22 *C4   PX'      -0.00000   -0.00000    0.10493    2.00858    0.00000
  23 *C4   PY'       0.00000    0.00000   -0.22254   -0.24930   -0.00000
  24 *C4   PZ'      -0.04480    2.32609    0.00000   -0.00000    1.08923
  25 *C4   DXX      -0.00000   -0.00000    0.25164   -0.11119    0.00000
  26 *C4   DYY      -0.00000    0.00000    0.00712    0.35430   -0.00000
  27 *C4   DZZ       0.00000    0.00000   -0.13438   -0.25880   -0.00000
  28 *C4   DXY       0.00000   -0.00000    0.05221    0.30603    0.00000
  29 *C4   DXZ      -0.54365   -0.14420   -0.00000    0.00000   -0.34453
  30 *C4   DYZ      -0.22928   -0.01472   -0.00000    0.00000    0.07796
  31 C2    S1       -0.02954    0.06780    0.01363    0.00700    0.00510
  32 C2    S         0.00178    0.16613   -0.00265    0.16218    0.15677
  33 C2    PX       -0.03717   -0.27136   -0.38221    0.09751   -0.25162
  34 C2    PY        0.00061    0.00214   -0.00279   -0.01082    0.00387
  35 C2    PZ        0.22052    0.00926    0.11499   -0.01293    0.23741
  36 C2    S'        1.80162   -2.68063   -1.00855   -1.32089   -0.29725
  37 C2    PX'      -0.24581   -0.28838   -1.03761   -0.06507   -1.49766
  38 C2    PY'      -0.01553    0.00313   -0.00070   -0.02741    0.01728
  39 C2    PZ'       0.62118   -1.34371    0.32989   -1.01985    0.35660
  40 C2    DXX      -0.10169   -0.47075   -0.45777    0.26323   -0.44679
  41 C2    DYY      -0.16438    0.40573    0.07810    0.00952    0.01807
  42 C2    DZZ       0.35833    0.09324    0.31726   -0.26624    0.45698
  43 C2    DXY      -0.10713   -0.00004   -0.00932   -0.03087    0.02253
  44 C2    DXZ      -0.17719    0.47497   -0.44426    0.02981   -0.32482
  45 C2    DYZ       0.05856    0.00225    0.00103   -0.01997   -0.00619
  46 *C2   S1        0.02954   -0.06780    0.01363    0.00700   -0.00510
  47 *C2   S        -0.00178   -0.16613   -0.00265    0.16218   -0.15677
  48 *C2   PX        0.03717    0.27136   -0.38221    0.09751    0.25162
  49 *C2   PY       -0.00061   -0.00214   -0.00279   -0.01082   -0.00387
  50 *C2   PZ        0.22052    0.00926   -0.11499    0.01293    0.23741
  51 *C2   S'       -1.80162    2.68063   -1.00855   -1.32089    0.29725
  52 *C2   PX'       0.24581    0.28838   -1.03761   -0.06507    1.49766
  53 *C2   PY'       0.01553   -0.00313   -0.00070   -0.02741   -0.01728
  54 *C2   PZ'       0.62118   -1.34371   -0.32989    1.01985    0.35660
  55 *C2   DXX       0.10169    0.47075   -0.45777    0.26323    0.44679
  56 *C2   DYY       0.16438   -0.40573    0.07810    0.00952   -0.01807
  57 *C2   DZZ      -0.35833   -0.09324    0.31726   -0.26624   -0.45698
  58 *C2   DXY       0.10713    0.00004   -0.00932   -0.03087   -0.02253
  59 *C2   DXZ      -0.17719    0.47497    0.44426   -0.02981   -0.32482
  60 *C2   DYZ       0.05856    0.00225   -0.00103    0.01997   -0.00619
  61 *C3   S1        0.01130    0.07481   -0.02636   -0.02637    0.02948
  62 *C3   S        -0.12167    0.17870    0.07613   -0.22689   -0.04077
  63 *C3   PX        0.01971    0.20507   -0.19207    0.20176    0.09288
  64 *C3   PY        0.02476   -0.00312    0.00956    0.01720   -0.00642
  65 *C3   PZ        0.16933    0.01575   -0.04398   -0.11084    0.11656
  66 *C3   S'        0.16996   -3.27079    1.16071    2.08655   -2.06533
  67 *C3   PX'      -0.73884    0.17384   -1.12995   -0.10905    0.92019
  68 *C3   PY'      -0.02046    0.00242    0.06944    0.08892   -0.01035
  69 *C3   PZ'      -0.09973    1.50041    0.24920   -1.55924    0.24824
  70 *C3   DXX       0.13657   -0.49007    0.63038   -0.25256   -0.26176
  71 *C3   DYY       0.09415    0.43181   -0.15042   -0.14566    0.14376
  72 *C3   DZZ      -0.28345    0.11602   -0.46289    0.39572    0.03649
  73 *C3   DXY       0.12570    0.02636   -0.02779   -0.02070   -0.02076
  74 *C3   DXZ       0.16891    0.50775    0.20436   -0.11990   -0.06766
  75 *C3   DYZ      -0.09961   -0.01586   -0.05242   -0.11900    0.02908
  76 C3    S1       -0.01130   -0.07481   -0.02636   -0.02637   -0.02948
  77 C3    S         0.12167   -0.17870    0.07613   -0.22689    0.04077
  78 C3    PX       -0.01971   -0.20507   -0.19207    0.20176   -0.09288
  79 C3    PY       -0.02476    0.00312    0.00956    0.01720    0.00642
  80 C3    PZ        0.16933    0.01575    0.04398    0.11084    0.11656
  81 C3    S'       -0.16996    3.27079    1.16071    2.08655    2.06533
  82 C3    PX'       0.73884   -0.17384   -1.12995   -0.10905   -0.92019
  83 C3    PY'       0.02046   -0.00242    0.06944    0.08892    0.01035
  84 C3    PZ'      -0.09973    1.50041   -0.24920    1.55924    0.24824
  85 C3    DXX      -0.13657    0.49007    0.63038   -0.25256    0.26176
  86 C3    DYY      -0.09415   -0.43181   -0.15042   -0.14566   -0.14376
  87 C3    DZZ       0.28345   -0.11602   -0.46289    0.39572   -0.03649
  88 C3    DXY      -0.12570   -0.02636   -0.02779   -0.02070    0.02076
  89 C3    DXZ       0.16891    0.50775   -0.20436    0.11990   -0.06766
  90 C3    DYZ      -0.09961   -0.01586    0.05242    0.11900    0.02908
  91 H2    S        -0.08946   -0.17939    0.12158    0.01568   -0.02830
  92 H2    S'        0.07712   -0.17267   -0.06413   -0.22150   -0.10512
  93 *H2   S         0.08946    0.17939    0.12158    0.01568    0.02830
  94 *H2   S'       -0.07712    0.17267   -0.06413   -0.22150    0.10512
  95 *H3   S         0.10536   -0.19424    0.01671   -0.03479    0.01948
  96 *H3   S'        0.03734   -0.12734    0.03994    0.39161   -0.09986
  97 H3    S        -0.10536    0.19424    0.01671   -0.03479   -0.01948
  98 H3    S'       -0.03734    0.12734    0.03994    0.39161    0.09986
  99 C7    S1        0.00000   -0.00000    0.00415    0.00134    0.00000
 100 C7    S         0.00000    0.00000   -0.32146    0.26215    0.00000
 101 C7    PX        0.00000   -0.00000    0.05448   -0.00378    0.00000
 102 C7    PY        0.00000   -0.00000    0.08778    0.20532    0.00000
 103 C7    PZ        0.17510   -0.19386   -0.00000    0.00000    0.02048
 104 C7    S'        0.00000   -0.00000    0.25741   -0.92656   -0.00000
 105 C7    PX'       0.00000    0.00000   -0.11472    0.02650    0.00000
 106 C7    PY'      -0.00000   -0.00000    0.57321    0.43194    0.00000
 107 C7    PZ'       1.67628   -0.76413   -0.00000    0.00000   -1.28808
 108 C7    DXX       0.00000    0.00000   -0.11470   -0.15015   -0.00000
 109 C7    DYY      -0.00000    0.00000   -0.09278   -0.33808    0.00000
 110 C7    DZZ      -0.00000   -0.00000    0.30888    0.40324    0.00000
 111 C7    DXY       0.00000   -0.00000    0.28332    0.75451    0.00000
 112 C7    DXZ       0.25034    0.04885    0.00000   -0.00000   -0.53485
 113 C7    DYZ       0.37750    0.17289    0.00000   -0.00000   -0.47115
 114 F1    S1       -0.01081   -0.00139    0.00939   -0.00740    0.00498
 115 F1    S        -0.50307    0.16459   -0.17216   -0.10779    0.18898
 116 F1    PX        0.02972    0.02890    0.03889   -0.04992    0.04152
 117 F1    PY       -0.08399    0.02693    0.02046    0.02171    0.04035
 118 F1    PZ       -0.02246    0.01813   -0.03148   -0.04134   -0.02141
 119 F1    S'        1.35505   -0.44702    0.27361    0.38441   -0.68043
 120 F1    PX'      -0.17474    0.00193   -0.06434    0.13669   -0.07283
 121 F1    PY'       0.38897   -0.14711   -0.11503   -0.10539   -0.26745
 122 F1    PZ'       0.15347   -0.14473    0.14748    0.27702   -0.03235
 123 F1    DXX      -0.16376    0.07414   -0.01908   -0.24292    0.23297
 124 F1    DYY       0.13833   -0.01056   -0.15464   -0.20274   -0.25293
 125 F1    DZZ      -0.17128   -0.08449    0.21991    0.37778    0.06139
 126 F1    DXY      -0.12948    0.03873    0.09616    0.21772    0.00088
 127 F1    DXZ       0.03419    0.09619    0.02237    0.06175   -0.16927
 128 F1    DYZ       0.12543   -0.05092   -0.04124   -0.09868   -0.12834
 129 F2    S1        0.00000   -0.00000    0.00873    0.00432    0.00000
 130 F2    S         0.00000   -0.00000    0.19798    0.13798   -0.00000
 131 F2    PX        0.00000    0.00000   -0.00158    0.00342    0.00000
 132 F2    PY        0.00000    0.00000   -0.00172   -0.02064    0.00000
 133 F2    PZ        0.15580   -0.01328   -0.00000    0.00000   -0.09440
 134 F2    S'       -0.00000    0.00000   -0.60325   -0.32840    0.00000
 135 F2    PX'      -0.00000   -0.00000    0.05733   -0.01025    0.00000
 136 F2    PY'       0.00000   -0.00000    0.13805    0.20028   -0.00000
 137 F2    PZ'      -0.59407    0.08755    0.00000    0.00000    0.44280
 138 F2    DXX       0.00000   -0.00000    0.12699    0.31808    0.00000
 139 F2    DYY      -0.00000   -0.00000   -0.01192   -0.32352    0.00000
 140 F2    DZZ       0.00000    0.00000   -0.01636    0.03245   -0.00000
 141 F2    DXY       0.00000   -0.00000    0.04405    0.10732    0.00000
 142 F2    DXZ       0.28011    0.04444    0.00000   -0.00000   -0.14444
 143 F2    DYZ       0.45084    0.02731    0.00000   -0.00000   -0.43838
 144 F3    S1        0.01081    0.00139    0.00939   -0.00740   -0.00498
 145 F3    S         0.50307   -0.16459   -0.17216   -0.10779   -0.18898
 146 F3    PX       -0.02972   -0.02890    0.03889   -0.04992   -0.04152
 147 F3    PY        0.08399   -0.02693    0.02046    0.02171   -0.04035
 148 F3    PZ       -0.02246    0.01813    0.03148    0.04134   -0.02141
 149 F3    S'       -1.35505    0.44702    0.27361    0.38441    0.68043
 150 F3    PX'       0.17474   -0.00193   -0.06434    0.13669    0.07283
 151 F3    PY'      -0.38897    0.14711   -0.11503   -0.10539    0.26745
 152 F3    PZ'       0.15347   -0.14473   -0.14748   -0.27702   -0.03235
 153 F3    DXX       0.16376   -0.07414   -0.01908   -0.24292   -0.23297
 154 F3    DYY      -0.13833    0.01056   -0.15464   -0.20274    0.25293
 155 F3    DZZ       0.17128    0.08449    0.21991    0.37778   -0.06139
 156 F3    DXY       0.12948   -0.03873    0.09616    0.21772   -0.00088
 157 F3    DXZ       0.03419    0.09619   -0.02237   -0.06175   -0.16927
 158 F3    DYZ       0.12543   -0.05092    0.04124    0.09868   -0.12834
 159 Br1   S         0.00000    0.00000   -0.00011    0.00010    0.00000
 160 Br1   S         0.00000    0.00000   -0.00507    0.00087    0.00000
 161 Br1   PX        0.00000    0.00000   -0.00545   -0.00080    0.00000
 162 Br1   PY        0.00000    0.00000    0.00010    0.00005    0.00000
 163 Br1   PZ       -0.00316    0.00553    0.00000    0.00000   -0.00271
 164 Br1   S         0.00000    0.00000   -0.01703   -0.00348    0.00000
 165 Br1   PX        0.00000   -0.00000    0.01894    0.00271    0.00000
 166 Br1   PY        0.00000    0.00000   -0.00036   -0.00018    0.00000
 167 Br1   PZ        0.01159   -0.01948   -0.00000    0.00000    0.01016
 168 Br1   S         0.00000    0.00000   -0.20594   -0.05669    0.00000
 169 Br1   PX        0.00000    0.00000   -0.03918    0.00460   -0.00000
 170 Br1   PY        0.00000    0.00000    0.00097    0.00020    0.00000
 171 Br1   PZ       -0.06604    0.07480    0.00000   -0.00000   -0.07148
 172 Br1   S        -0.00000    0.00000   -0.22735    0.15441   -0.00000
 173 Br1   PX        0.00000    0.00000   -0.15777    0.08417   -0.00000
 174 Br1   PY        0.00000    0.00000   -0.00181   -0.00429    0.00000
 175 Br1   PZ       -0.05542    0.10920    0.00000   -0.00000    0.02709
 176 Br1   DXX      -0.00000   -0.00000    0.02503    0.00106    0.00000
 177 Br1   DYY       0.00000    0.00000   -0.02759    0.00457    0.00000
 178 Br1   DZZ       0.00000    0.00000   -0.00738   -0.00875    0.00000
 179 Br1   DXY       0.00000    0.00000   -0.00028    0.00000    0.00000
 180 Br1   DXZ      -0.00337   -0.04713   -0.00000    0.00000   -0.02889
 181 Br1   DYZ       0.00228    0.00055    0.00000    0.00000    0.00001
 182 Br1   DXX       0.00000    0.00000   -0.03040   -0.00980    0.00000
 183 Br1   DYY       0.00000    0.00000    0.00001   -0.01582    0.00000
 184 Br1   DZZ       0.00000    0.00000   -0.01511   -0.00543    0.00000
 185 Br1   DXY       0.00000    0.00000    0.00014    0.00003    0.00000
 186 Br1   DXZ       0.00663    0.03255    0.00000    0.00000    0.02741
 187 Br1   DYZ      -0.00190   -0.00040    0.00000    0.00000   -0.00002
 188 Br1   DXX       0.00000    0.00000   -0.13870   -0.03822    0.00000
 189 Br1   DYY       0.00000   -0.00000    0.01258   -0.03496    0.00000
 190 Br1   DZZ       0.00000    0.00000   -0.02862   -0.01109    0.00000
 191 Br1   DXY       0.00000    0.00000    0.00056   -0.00093    0.00000
 192 Br1   DXZ      -0.04786    0.12623    0.00000   -0.00000   -0.00191
 193 Br1   DYZ      -0.00260   -0.00129    0.00000    0.00000    0.00027
  MO:                 171        172        173        174        175    
  Eigenvalues:       2.90706    3.02095    3.03225    3.07843    3.09087
          (ev)      79.10516   82.20421   82.51180   83.76842   84.10684

                       A'         A'         A'         A"         A"     
   1 *C1   S1       -0.06810   -0.01442    0.00584    0.00000    0.00000
   2 *C1   S        -0.35671   -0.04757   -0.02590   -0.00000   -0.00000
   3 *C1   PX        0.05933    0.00800   -0.00092    0.00000    0.00000
   4 *C1   PY       -0.00107   -0.00115    0.00174    0.00000    0.00000
   5 *C1   PZ        0.00000    0.00000    0.00000    0.24051    0.15424
   6 *C1   S'        5.29420    0.94706   -0.01603   -0.00000   -0.00000
   7 *C1   PX'       2.72055    0.45128   -0.03183    0.00000   -0.00000
   8 *C1   PY'      -0.03927    0.02176    0.00804    0.00000    0.00000
   9 *C1   PZ'       0.00000   -0.00000   -0.00000    1.75015    0.82489
  10 *C1   DXX       0.01204   -0.03511    0.05736    0.00000    0.00000
  11 *C1   DYY      -0.29743   -0.06770    0.03336    0.00000    0.00000
  12 *C1   DZZ       0.28222    0.09239   -0.06403   -0.00000   -0.00000
  13 *C1   DXY      -0.00682    0.00412   -0.00093    0.00000    0.00000
  14 *C1   DXZ       0.00000    0.00000   -0.00000    0.39526    0.29764
  15 *C1   DYZ       0.00000    0.00000    0.00000    0.00670   -0.01184
  16 *C4   S1        0.12159   -0.01264    0.01793    0.00000    0.00000
  17 *C4   S         0.55829    0.03520    0.13816    0.00000    0.00000
  18 *C4   PX       -0.11465   -0.06206    0.02409    0.00000    0.00000
  19 *C4   PY       -0.00679    0.01456    0.00332    0.00000    0.00000
  20 *C4   PZ       -0.00000    0.00000    0.00000   -0.24289   -0.27649
  21 *C4   S'       -6.39284   -0.00216   -0.87037   -0.00000    0.00000
  22 *C4   PX'       0.96760    2.47689   -0.29313   -0.00000   -0.00000
  23 *C4   PY'      -0.02966   -0.06909    0.10852    0.00000    0.00000
  24 *C4   PZ'       0.00000   -0.00000    0.00000   -2.97310   -0.84966
  25 *C4   DXX      -0.74453   -0.14484   -0.10359   -0.00000   -0.00000
  26 *C4   DYY       0.55854    0.01367    0.10827    0.00000    0.00000
  27 *C4   DZZ       0.26331   -0.10139   -0.01681    0.00000    0.00000
  28 *C4   DXY      -0.01207    0.02874   -0.06242   -0.00000    0.00000
  29 *C4   DXZ      -0.00000    0.00000   -0.00000    0.69261    0.76324
  30 *C4   DYZ       0.00000    0.00000    0.00000   -0.04904    0.03329
  31 C2    S1        0.08044    0.00714   -0.00123   -0.01341    0.00091
  32 C2    S         0.44439   -0.00407    0.01947   -0.10297   -0.06934
  33 C2    PX       -0.04654   -0.00889   -0.00486   -0.15029   -0.21123
  34 C2    PY       -0.00238    0.00826    0.00881   -0.00282    0.00420
  35 C2    PZ       -0.08925   -0.03002    0.01500    0.08237    0.08345
  36 C2    S'       -5.36369   -0.87674    0.08171    0.58620    0.17731
  37 C2    PX'      -1.81984   -0.18147    0.03099   -1.08554   -0.62161
  38 C2    PY'       0.02838   -0.03591   -0.01799    0.02940    0.00427
  39 C2    PZ'      -2.56319   -0.44356   -0.03079    1.15270    0.40039
  40 C2    DXX      -0.36554   -0.01579    0.03355   -0.21749   -0.28772
  41 C2    DYY       0.37734    0.02560   -0.00838   -0.06720    0.00988
  42 C2    DZZ      -0.05073    0.00332   -0.02402    0.29299    0.26944
  43 C2    DXY       0.01040    0.00244    0.00521   -0.00494    0.01311
  44 C2    DXZ       0.01245    0.05444   -0.06116   -0.20944   -0.10959
  45 C2    DYZ       0.00373   -0.00869   -0.00169    0.00936   -0.00343
  46 *C2   S1        0.08044    0.00714   -0.00123    0.01341   -0.00091
  47 *C2   S         0.44439   -0.00407    0.01947    0.10297    0.06934
  48 *C2   PX       -0.04654   -0.00889   -0.00486    0.15029    0.21123
  49 *C2   PY       -0.00238    0.00826    0.00881    0.00282   -0.00420
  50 *C2   PZ        0.08925    0.03002   -0.01500    0.08237    0.08345
  51 *C2   S'       -5.36369   -0.87674    0.08171   -0.58620   -0.17731
  52 *C2   PX'      -1.81984   -0.18147    0.03099    1.08554    0.62161
  53 *C2   PY'       0.02838   -0.03591   -0.01799   -0.02940   -0.00427
  54 *C2   PZ'       2.56319    0.44356    0.03079    1.15270    0.40039
  55 *C2   DXX      -0.36554   -0.01579    0.03355    0.21749    0.28772
  56 *C2   DYY       0.37734    0.02560   -0.00838    0.06720   -0.00988
  57 *C2   DZZ      -0.05073    0.00332   -0.02402   -0.29299   -0.26944
  58 *C2   DXY       0.01040    0.00244    0.00521    0.00494   -0.01311
  59 *C2   DXZ      -0.01245   -0.05444    0.06116   -0.20944   -0.10959
  60 *C2   DYZ      -0.00373    0.00869    0.00169    0.00936   -0.00343
  61 *C3   S1       -0.06855   -0.02461   -0.00683   -0.03640    0.00635
  62 *C3   S        -0.40417   -0.10262   -0.01986   -0.08594    0.05168
  63 *C3   PX       -0.15876   -0.01240    0.01977    0.18643    0.25738
  64 *C3   PY        0.00623   -0.01172   -0.01517   -0.00988   -0.00480
  65 *C3   PZ       -0.00745   -0.01048   -0.02437   -0.16963   -0.22032
  66 *C3   S'        5.17149    1.33321    0.17469    1.65020    0.01640
  67 *C3   PX'      -1.50312   -0.37105    0.16835    1.56404    0.50679
  68 *C3   PY'       0.00372    0.06729    0.00413    0.01802   -0.01411
  69 *C3   PZ'      -2.13360   -0.96647   -0.06767   -1.45940   -0.41461
  70 *C3   DXX       0.25522   -0.02010   -0.02420   -0.24987   -0.37539
  71 *C3   DYY      -0.32165   -0.12962   -0.03771   -0.17466    0.02947
  72 *C3   DZZ       0.10992    0.10639    0.03845    0.37888    0.44472
  73 *C3   DXY      -0.01121    0.02034    0.01664    0.02191   -0.01571
  74 *C3   DXZ       0.11657   -0.01350    0.02160   -0.29297   -0.17672
  75 *C3   DYZ       0.00473   -0.01779    0.02651   -0.01555    0.01805
  76 C3    S1       -0.06855   -0.02461   -0.00683    0.03640   -0.00635
  77 C3    S        -0.40417   -0.10262   -0.01986    0.08594   -0.05168
  78 C3    PX       -0.15876   -0.01240    0.01977   -0.18643   -0.25738
  79 C3    PY        0.00623   -0.01172   -0.01517    0.00988    0.00480
  80 C3    PZ        0.00745    0.01048    0.02437   -0.16963   -0.22032
  81 C3    S'        5.17149    1.33321    0.17469   -1.65020   -0.01640
  82 C3    PX'      -1.50312   -0.37105    0.16835   -1.56404   -0.50679
  83 C3    PY'       0.00372    0.06729    0.00413   -0.01802    0.01411
  84 C3    PZ'       2.13360    0.96647    0.06767   -1.45940   -0.41461
  85 C3    DXX       0.25522   -0.02010   -0.02420    0.24987    0.37539
  86 C3    DYY      -0.32165   -0.12962   -0.03771    0.17466   -0.02947
  87 C3    DZZ       0.10992    0.10639    0.03845   -0.37888   -0.44472
  88 C3    DXY      -0.01121    0.02034    0.01664   -0.02191    0.01571
  89 C3    DXZ      -0.11657    0.01350   -0.02160   -0.29297   -0.17672
  90 C3    DYZ      -0.00473    0.01779   -0.02651   -0.01555    0.01805
  91 H2    S        -0.04459   -0.03138    0.02062    0.02181   -0.02950
  92 H2    S'       -0.72480   -0.07490   -0.01883    0.10624    0.00314
  93 *H2   S        -0.04459   -0.03138    0.02062   -0.02181    0.02950
  94 *H2   S'       -0.72480   -0.07490   -0.01883   -0.10624   -0.00314
  95 *H3   S        -0.04927   -0.01070   -0.04049   -0.05687    0.01112
  96 *H3   S'        0.49498    0.35597   -0.02411    0.11649    0.00281
  97 H3    S        -0.04927   -0.01070   -0.04049    0.05687   -0.01112
  98 H3    S'        0.49498    0.35597   -0.02411   -0.11649   -0.00281
  99 C7    S1       -0.12059    0.15354   -0.02075    0.00000    0.00000
 100 C7    S        -0.29005   -0.62284    0.01843    0.00000    0.00000
 101 C7    PX       -0.07489   -0.64351    0.01122    0.00000    0.00000
 102 C7    PY        0.08197   -0.04437   -1.06311   -0.00000    0.00000
 103 C7    PZ        0.00000   -0.00000    0.00000   -0.77833    0.68452
 104 C7    S'        3.20943   -4.79412    0.65195    0.00000    0.00000
 105 C7    PX'      -0.27284    0.71992   -0.16831   -0.00000    0.00000
 106 C7    PY'      -0.01892    0.05840   -0.72141   -0.00000    0.00000
 107 C7    PZ'      -0.00000    0.00000    0.00000   -0.43851    0.63557
 108 C7    DXX       0.70314    0.65449    0.07310    0.00000    0.00000
 109 C7    DYY      -0.31294   -0.25563   -0.91599   -0.00000    0.00000
 110 C7    DZZ      -0.46752   -0.19277    0.78481    0.00000   -0.00000
 111 C7    DXY       0.08360    0.04509   -0.54317   -0.00000    0.00000
 112 C7    DXZ      -0.00000    0.00000    0.00000   -0.27692    0.82109
 113 C7    DYZ      -0.00000    0.00000   -0.00000    0.81226   -0.44680
 114 F1    S1       -0.00957    0.02762   -0.03011   -0.01963    0.03861
 115 F1    S         0.38143   -0.75558    0.41053    0.52737   -0.38097
 116 F1    PX        0.02273    0.07717   -0.01407   -0.03044   -0.01472
 117 F1    PY        0.03407   -0.04474    0.03528    0.01564   -0.00998
 118 F1    PZ        0.08208   -0.09814    0.02703    0.06951   -0.01243
 119 F1    S'       -0.94207    1.60775   -0.70119   -0.98523    0.61964
 120 F1    PX'      -0.03473   -0.46379    0.25338    0.40234   -0.18444
 121 F1    PY'      -0.16081    0.40536   -0.27654   -0.31109    0.34979
 122 F1    PZ'      -0.34606    0.78328   -0.49545   -0.64672    0.52117
 123 F1    DXX       0.12169   -0.00503    0.00125   -0.04490   -0.07394
 124 F1    DYY      -0.02110    0.01839   -0.17797    0.11465    0.14082
 125 F1    DZZ      -0.13267    0.32537   -0.24247   -0.40187    0.51234
 126 F1    DXY      -0.10648   -0.21827    0.20178    0.17215   -0.09023
 127 F1    DXZ      -0.15159   -0.40644    0.19671    0.40783   -0.18122
 128 F1    DYZ      -0.05770    0.24016   -0.37656   -0.28136    0.37193
 129 F2    S1       -0.00228    0.03391    0.04728    0.00000    0.00000
 130 F2    S         0.44459   -0.77731   -0.68016    0.00000    0.00000
 131 F2    PX        0.03896    0.08512    0.01309    0.00000    0.00000
 132 F2    PY       -0.09944    0.10858    0.06482    0.00000    0.00000
 133 F2    PZ        0.00000    0.00000    0.00000   -0.01176   -0.00190
 134 F2    S'       -1.11023    1.58713    1.10802    0.00000   -0.00000
 135 F2    PX'      -0.03651   -0.46588   -0.38964    0.00000    0.00000
 136 F2    PY'       0.50088   -0.91223   -1.01254   -0.00000    0.00000
 137 F2    PZ'       0.00000    0.00000   -0.00000    0.03659   -0.08548
 138 F2    DXX       0.18171    0.00352   -0.03934    0.00000    0.00000
 139 F2    DYY      -0.22646    0.49321    0.96078    0.00000   -0.00000
 140 F2    DZZ       0.06708   -0.09069   -0.21563   -0.00000    0.00000
 141 F2    DXY       0.14495    0.46659    0.49109    0.00000    0.00000
 142 F2    DXZ      -0.00000    0.00000    0.00000   -0.00519   -0.03671
 143 F2    DYZ      -0.00000    0.00000    0.00000    0.19877    0.01760
 144 F3    S1       -0.00957    0.02762   -0.03011    0.01963   -0.03861
 145 F3    S         0.38143   -0.75558    0.41053   -0.52737    0.38097
 146 F3    PX        0.02273    0.07717   -0.01407    0.03044    0.01472
 147 F3    PY        0.03407   -0.04474    0.03528   -0.01564    0.00998
 148 F3    PZ       -0.08208    0.09814   -0.02703    0.06951   -0.01243
 149 F3    S'       -0.94207    1.60775   -0.70119    0.98523   -0.61964
 150 F3    PX'      -0.03473   -0.46379    0.25338   -0.40234    0.18444
 151 F3    PY'      -0.16081    0.40536   -0.27654    0.31109   -0.34979
 152 F3    PZ'       0.34606   -0.78328    0.49545   -0.64672    0.52117
 153 F3    DXX       0.12169   -0.00503    0.00125    0.04490    0.07394
 154 F3    DYY      -0.02110    0.01839   -0.17797   -0.11465   -0.14082
 155 F3    DZZ      -0.13267    0.32537   -0.24247    0.40187   -0.51234
 156 F3    DXY      -0.10648   -0.21827    0.20178   -0.17215    0.09023
 157 F3    DXZ       0.15159    0.40644   -0.19671    0.40783   -0.18122
 158 F3    DYZ       0.05770   -0.24016    0.37656   -0.28136    0.37193
 159 Br1   S         0.00086    0.00022   -0.00005    0.00000    0.00000
 160 Br1   S        -0.00816   -0.00060    0.00034    0.00000    0.00000
 161 Br1   PX        0.00426    0.00138   -0.00102    0.00000    0.00000
 162 Br1   PY        0.00006   -0.00021   -0.00014    0.00000    0.00000
 163 Br1   PZ        0.00000    0.00000    0.00000   -0.00425   -0.00140
 164 Br1   S        -0.03702   -0.00489    0.00043    0.00000    0.00000
 165 Br1   PX       -0.01577   -0.00493    0.00361    0.00000    0.00000
 166 Br1   PY       -0.00020    0.00074    0.00050    0.00000    0.00000
 167 Br1   PZ        0.00000    0.00000    0.00000    0.01537    0.00520
 168 Br1   S        -0.04032    0.02263   -0.02919    0.00000    0.00000
 169 Br1   PX        0.13823    0.02668   -0.01324    0.00000    0.00000
 170 Br1   PY        0.00014   -0.00308   -0.00204    0.00000    0.00000
 171 Br1   PZ        0.00000    0.00000    0.00000   -0.08216   -0.03503
 172 Br1   S         0.08016    0.03151    0.00680    0.00000    0.00000
 173 Br1   PX        0.02960    0.01920    0.00148    0.00000    0.00000
 174 Br1   PY       -0.00031   -0.00004    0.00215    0.00000    0.00000
 175 Br1   PZ        0.00000    0.00000    0.00000   -0.01484    0.00444
 176 Br1   DXX       0.01002   -0.00193    0.00228    0.00000    0.00000
 177 Br1   DYY      -0.01449    0.00141   -0.00058    0.00000    0.00000
 178 Br1   DZZ      -0.00169    0.00077   -0.00285    0.00000    0.00000
 179 Br1   DXY      -0.00054    0.00076    0.00008    0.00000    0.00000
 180 Br1   DXZ       0.00000    0.00000    0.00000    0.00172   -0.01204
 181 Br1   DYZ       0.00000    0.00000    0.00000   -0.00021    0.00009
 182 Br1   DXX       0.00821    0.00636   -0.00647    0.00000    0.00000
 183 Br1   DYY       0.02902    0.00444   -0.00554    0.00000    0.00000
 184 Br1   DZZ       0.01802    0.00495   -0.00345    0.00000    0.00000
 185 Br1   DXY       0.00041   -0.00060   -0.00005    0.00000    0.00000
 186 Br1   DXZ       0.00000    0.00000    0.00000    0.00199    0.01285
 187 Br1   DYZ       0.00000    0.00000    0.00000    0.00017   -0.00009
 188 Br1   DXX       0.07916    0.03103   -0.02710    0.00000    0.00000
 189 Br1   DYY       0.09607    0.01799   -0.01422    0.00000    0.00000
 190 Br1   DZZ       0.07752    0.01961   -0.01160    0.00000    0.00000
 191 Br1   DXY       0.00113   -0.00208   -0.00033    0.00000    0.00000
 192 Br1   DXZ       0.00000    0.00000    0.00000   -0.04910   -0.00832
 193 Br1   DYZ       0.00000    0.00000    0.00000    0.00067    0.00006
  MO:                 176        177        178        179        180    
  Eigenvalues:       3.36458    4.05458    4.07595    4.08552    4.22065
          (ev)      91.55505  110.33090  110.91238  111.17266  114.84969

                       A'         A'         A'         A"         A'     
   1 *C1   S1        0.09010   -0.20274    0.26575   -0.00000    0.23235
   2 *C1   S        -0.03264    1.32249   -1.66162    0.00000   -1.32187
   3 *C1   PX       -0.06331    0.05523    0.02790    0.00000    0.10631
   4 *C1   PY        0.00137    0.00106    0.00186    0.00000   -0.00513
   5 *C1   PZ        0.00000    0.00000    0.00000   -0.18420   -0.00000
   6 *C1   S'       -4.27627    0.50901   -0.11286    0.00000   -1.35662
   7 *C1   PX'      -2.08543   -0.15760    0.43967   -0.00000   -0.11468
   8 *C1   PY'       0.02142   -0.00370   -0.01153    0.00000    0.01171
   9 *C1   PZ'      -0.00000   -0.00000    0.00000    0.16421    0.00000
  10 *C1   DXX       0.44612   -0.75070    0.97755   -0.00000    0.87287
  11 *C1   DYY       0.38967   -0.78402    1.03966   -0.00000    0.87640
  12 *C1   DZZ      -0.57304   -0.73621    1.07316   -0.00000    1.07414
  13 *C1   DXY      -0.00010   -0.00115   -0.00053    0.00000    0.00160
  14 *C1   DXZ       0.00000    0.00000    0.00000   -0.14023   -0.00000
  15 *C1   DYZ       0.00000    0.00000    0.00000    0.00173    0.00000
  16 *C4   S1       -0.06675   -0.18487   -0.26520   -0.00000    0.12904
  17 *C4   S        -0.06432    1.29489    1.76060    0.00000   -0.86872
  18 *C4   PX       -0.13179   -0.07320    0.03497    0.00000   -0.18382
  19 *C4   PY       -0.00376   -0.00140   -0.00293    0.00000   -0.00274
  20 *C4   PZ        0.00000    0.00000    0.00000   -0.17793    0.00000
  21 *C4   S'        3.97210   -0.00432   -0.24574    0.00000   -0.36477
  22 *C4   PX'      -2.37886    0.43672    0.31407    0.00000    0.54866
  23 *C4   PY'       0.02981    0.06373    0.09859    0.00000   -0.16871
  24 *C4   PZ'       0.00000    0.00000    0.00000   -0.10845    0.00000
  25 *C4   DXX      -0.54304   -0.72173   -1.02593   -0.00000    0.49502
  26 *C4   DYY      -0.28368   -0.72651   -1.05357   -0.00000    0.49536
  27 *C4   DZZ       0.74726   -0.67282   -1.08385   -0.00000    0.80208
  28 *C4   DXY      -0.00138    0.00916    0.01183    0.00000   -0.02653
  29 *C4   DXZ      -0.00000   -0.00000   -0.00000    0.15645   -0.00000
  30 *C4   DYZ       0.00000    0.00000    0.00000   -0.00311    0.00000
  31 C2    S1       -0.06866   -0.19068    0.14437   -0.24492   -0.07963
  32 C2    S        -0.09318    1.30418   -0.79419    1.49053    0.47900
  33 C2    PX        0.06457    0.00812    0.13317    0.06937    0.13515
  34 C2    PY       -0.00090    0.00114    0.00024   -0.00056   -0.00468
  35 C2    PZ        0.08397    0.05293   -0.07062   -0.07544   -0.11434
  36 C2    S'        3.97458    0.25564   -1.07872    0.77340    0.40510
  37 C2    PX'       1.09669   -0.05081   -0.32552   -0.00491   -0.11695
  38 C2    PY'      -0.00550    0.00403    0.00769   -0.00043   -0.00387
  39 C2    PZ'       1.96455   -0.06066   -0.41497    0.15010    0.14687
  40 C2    DXX       0.37323   -0.69474    0.57526   -0.85371   -0.24648
  41 C2    DYY      -0.28910   -0.74023    0.55097   -0.95148   -0.29955
  42 C2    DZZ      -0.14635   -0.71740    0.41333   -0.97599   -0.42658
  43 C2    DXY      -0.00832    0.00086    0.00226   -0.00134   -0.00373
  44 C2    DXZ      -0.56468   -0.05505    0.08895    0.02737    0.08886
  45 C2    DYZ       0.00592    0.00010   -0.00176   -0.00047    0.00060
  46 *C2   S1       -0.06866   -0.19068    0.14437    0.24492   -0.07963
  47 *C2   S        -0.09318    1.30418   -0.79419   -1.49053    0.47900
  48 *C2   PX        0.06457    0.00812    0.13317   -0.06937    0.13515
  49 *C2   PY       -0.00090    0.00114    0.00024    0.00056   -0.00468
  50 *C2   PZ       -0.08397   -0.05293    0.07062   -0.07544    0.11434
  51 *C2   S'        3.97458    0.25564   -1.07872   -0.77340    0.40510
  52 *C2   PX'       1.09669   -0.05081   -0.32552    0.00491   -0.11695
  53 *C2   PY'      -0.00550    0.00403    0.00769    0.00043   -0.00387
  54 *C2   PZ'      -1.96455    0.06066    0.41497    0.15010   -0.14687
  55 *C2   DXX       0.37323   -0.69474    0.57526    0.85371   -0.24648
  56 *C2   DYY      -0.28910   -0.74023    0.55097    0.95148   -0.29955
  57 *C2   DZZ      -0.14635   -0.71740    0.41333    0.97599   -0.42658
  58 *C2   DXY      -0.00832    0.00086    0.00226    0.00134   -0.00373
  59 *C2   DXZ       0.56468    0.05505   -0.08895    0.02737   -0.08886
  60 *C2   DYZ      -0.00592   -0.00010    0.00176   -0.00047   -0.00060
  61 *C3   S1        0.07345   -0.17706   -0.11787    0.24021   -0.18986
  62 *C3   S         0.05209    1.18020    0.62892   -1.50152    1.16592
  63 *C3   PX        0.03925   -0.01999    0.14927    0.07056   -0.04595
  64 *C3   PY        0.00012    0.00095   -0.00067   -0.00066   -0.00005
  65 *C3   PZ        0.10193   -0.05153   -0.07453   -0.07610    0.10457
  66 *C3   S'       -4.00559    0.57418    1.01708   -0.50692    0.91397
  67 *C3   PX'       1.11007   -0.08167   -0.34308    0.01509   -0.06222
  68 *C3   PY'      -0.01915   -0.01612   -0.02060   -0.00041    0.03459
  69 *C3   PZ'       1.96088   -0.15404   -0.41987    0.01511   -0.09791
  70 *C3   DXX      -0.38251   -0.63000   -0.48494    0.86246   -0.79108
  71 *C3   DYY       0.30674   -0.68181   -0.44822    0.93556   -0.72121
  72 *C3   DZZ       0.18337   -0.64660   -0.30510    0.96940   -0.82681
  73 *C3   DXY       0.00803    0.00229    0.00518    0.00073   -0.00743
  74 *C3   DXZ       0.60077   -0.03630   -0.08766   -0.03822    0.10310
  75 *C3   DYZ      -0.00762    0.00628    0.00992   -0.00022   -0.01283
  76 C3    S1        0.07345   -0.17706   -0.11787   -0.24021   -0.18986
  77 C3    S         0.05209    1.18020    0.62892    1.50152    1.16592
  78 C3    PX        0.03925   -0.01999    0.14927   -0.07056   -0.04595
  79 C3    PY        0.00012    0.00095   -0.00067    0.00066   -0.00005
  80 C3    PZ       -0.10193    0.05153    0.07453   -0.07610   -0.10457
  81 C3    S'       -4.00559    0.57418    1.01708    0.50692    0.91397
  82 C3    PX'       1.11007   -0.08167   -0.34308   -0.01509   -0.06222
  83 C3    PY'      -0.01915   -0.01612   -0.02060    0.00041    0.03459
  84 C3    PZ'      -1.96088    0.15404    0.41987    0.01511    0.09791
  85 C3    DXX      -0.38251   -0.63000   -0.48494   -0.86246   -0.79108
  86 C3    DYY       0.30674   -0.68181   -0.44822   -0.93556   -0.72121
  87 C3    DZZ       0.18337   -0.64660   -0.30510   -0.96940   -0.82681
  88 C3    DXY       0.00803    0.00229    0.00518   -0.00073   -0.00743
  89 C3    DXZ      -0.60077    0.03630    0.08766   -0.03822   -0.10310
  90 C3    DYZ       0.00762   -0.00628   -0.00992   -0.00022    0.01283
  91 H2    S         0.25443    0.08930   -0.07585    0.10424    0.03301
  92 H2    S'        0.38762   -0.14520   -0.05927   -0.14528   -0.07392
  93 *H2   S         0.25443    0.08930   -0.07585   -0.10424    0.03301
  94 *H2   S'        0.38762   -0.14520   -0.05927    0.14528   -0.07392
  95 *H3   S        -0.26954    0.08784    0.06572   -0.09993    0.07140
  96 *H3   S'       -0.37718   -0.07223    0.07549    0.16050   -0.16514
  97 H3    S        -0.26954    0.08784    0.06572    0.09993    0.07140
  98 H3    S'       -0.37718   -0.07223    0.07549   -0.16050   -0.16514
  99 C7    S1       -0.02111   -0.07604   -0.12303   -0.00000    0.21156
 100 C7    S         0.21565    0.52890    0.71467    0.00000   -1.12239
 101 C7    PX       -0.19670   -0.09626   -0.13783   -0.00000    0.15719
 102 C7    PY        0.06604   -0.04063   -0.07422   -0.00000    0.15798
 103 C7    PZ        0.00000    0.00000    0.00000   -0.02008    0.00000
 104 C7    S'        0.41710   -0.44492   -0.27167   -0.00000   -0.39399
 105 C7    PX'      -0.17793   -0.10067   -0.34414   -0.00000    0.56011
 106 C7    PY'      -0.01690   -0.21845   -0.38307   -0.00000    0.74535
 107 C7    PZ'       0.00000   -0.00000    0.00000    0.10296   -0.00000
 108 C7    DXX       0.17593   -0.23391   -0.35359   -0.00000    0.73529
 109 C7    DYY      -0.09665   -0.38550   -0.59456   -0.00000    1.04325
 110 C7    DZZ      -0.30953   -0.36054   -0.52761   -0.00000    0.84788
 111 C7    DXY       0.04233   -0.01236   -0.02795    0.00000    0.06051
 112 C7    DXZ      -0.00000    0.00000    0.00000   -0.00665    0.00000
 113 C7    DYZ       0.00000    0.00000    0.00000    0.01851    0.00000
 114 F1    S1       -0.00564    0.01424    0.02208   -0.00587   -0.07903
 115 F1    S        -0.04534    0.02533    0.04799   -0.01376   -0.20955
 116 F1    PX       -0.00543   -0.02669   -0.03753   -0.00626    0.04062
 117 F1    PY        0.00218    0.00067    0.00019   -0.00492   -0.00867
 118 F1    PZ        0.01005    0.01702    0.02470    0.00320   -0.04656
 119 F1    S'        0.14998   -0.09562   -0.19069    0.08884    0.94413
 120 F1    PX'      -0.06026    0.04152    0.07271    0.01294   -0.08199
 121 F1    PY'       0.05558    0.07049    0.10233    0.01515   -0.11923
 122 F1    PZ'       0.06692    0.05255    0.06445   -0.01231   -0.02686
 123 F1    DXX      -0.00855    0.03936    0.07638   -0.03349   -0.33283
 124 F1    DYY       0.00933    0.07098    0.09492   -0.01021   -0.29301
 125 F1    DZZ      -0.01723    0.11546    0.16977   -0.02553   -0.42646
 126 F1    DXY      -0.05526   -0.02132   -0.03160    0.00148    0.05507
 127 F1    DXZ      -0.07854   -0.00695   -0.00495    0.00983    0.02359
 128 F1    DYZ       0.04202    0.03179    0.04933   -0.00548   -0.07306
 129 F2    S1       -0.00018   -0.07607   -0.13968   -0.00000    0.23740
 130 F2    S         0.00852   -0.27683   -0.48818   -0.00000    0.87236
 131 F2    PX        0.00060   -0.01293   -0.01621    0.00000   -0.00796
 132 F2    PY       -0.00751    0.02659    0.05020    0.00000   -0.09139
 133 F2    PZ        0.00000    0.00000    0.00000    0.00147    0.00000
 134 F2    S'        0.00441    1.13312    1.99794    0.00000   -3.39822
 135 F2    PX'      -0.01785   -0.02327   -0.03884   -0.00000    0.16950
 136 F2    PY'       0.01948   -0.25113   -0.41217   -0.00000    0.69867
 137 F2    PZ'       0.00000    0.00000    0.00000   -0.01781    0.00000
 138 F2    DXX       0.01415   -0.34019   -0.61055   -0.00000    1.01745
 139 F2    DYY      -0.04510   -0.18130   -0.35630   -0.00000    0.60272
 140 F2    DZZ       0.03542   -0.31624   -0.59278   -0.00000    1.04636
 141 F2    DXY       0.02984    0.04400    0.07248    0.00000   -0.16428
 142 F2    DXZ       0.00000    0.00000    0.00000   -0.00034    0.00000
 143 F2    DYZ       0.00000    0.00000    0.00000    0.00973    0.00000
 144 F3    S1       -0.00564    0.01424    0.02208    0.00587   -0.07903
 145 F3    S        -0.04534    0.02533    0.04799    0.01376   -0.20955
 146 F3    PX       -0.00543   -0.02669   -0.03753    0.00626    0.04062
 147 F3    PY        0.00218    0.00067    0.00019    0.00492   -0.00867
 148 F3    PZ       -0.01005   -0.01702   -0.02470    0.00320    0.04656
 149 F3    S'        0.14998   -0.09562   -0.19069   -0.08884    0.94413
 150 F3    PX'      -0.06026    0.04152    0.07271   -0.01294   -0.08199
 151 F3    PY'       0.05558    0.07049    0.10233   -0.01515   -0.11923
 152 F3    PZ'      -0.06692   -0.05255   -0.06445   -0.01231    0.02686
 153 F3    DXX      -0.00855    0.03936    0.07638    0.03349   -0.33283
 154 F3    DYY       0.00933    0.07098    0.09492    0.01021   -0.29301
 155 F3    DZZ      -0.01723    0.11546    0.16977    0.02553   -0.42646
 156 F3    DXY      -0.05526   -0.02132   -0.03160   -0.00148    0.05507
 157 F3    DXZ       0.07854    0.00695    0.00495    0.00983   -0.02359
 158 F3    DYZ      -0.04202   -0.03179   -0.04933   -0.00548    0.07306
 159 Br1   S        -0.00076    0.00003   -0.00056    0.00000   -0.00114
 160 Br1   S         0.00676   -0.00256    0.00028    0.00000   -0.00188
 161 Br1   PX       -0.00936    0.00195   -0.00236    0.00000   -0.00204
 162 Br1   PY        0.00009   -0.00002    0.00002    0.00000    0.00004
 163 Br1   PZ        0.00000    0.00000    0.00000    0.00007    0.00000
 164 Br1   S         0.02095    0.00138    0.00484    0.00000    0.01697
 165 Br1   PX        0.03343   -0.00636    0.00750    0.00000    0.00636
 166 Br1   PY       -0.00030    0.00005   -0.00007    0.00000   -0.00012
 167 Br1   PZ        0.00000    0.00000    0.00000   -0.00019    0.00000
 168 Br1   S        -0.18516    0.13165   -0.16123    0.00000   -0.10672
 169 Br1   PX       -0.16339   -0.00639    0.01863    0.00000    0.01539
 170 Br1   PY        0.00151    0.00006   -0.00021    0.00000    0.00017
 171 Br1   PZ        0.00000    0.00000    0.00000   -0.00224    0.00000
 172 Br1   S        -0.03750   -0.23762    0.30058   -0.00000    0.21391
 173 Br1   PX       -0.02704   -0.15352    0.18663   -0.00000    0.12742
 174 Br1   PY       -0.00009    0.00244   -0.00032    0.00000   -0.00375
 175 Br1   PZ        0.00000    0.00000    0.00000   -0.00182    0.00000
 176 Br1   DXX       0.01434   -0.00312    0.01631    0.00000    0.04122
 177 Br1   DYY      -0.00264    0.00407   -0.01718    0.00000   -0.04503
 178 Br1   DZZ      -0.01683    0.00533   -0.00531    0.00000    0.00220
 179 Br1   DXY      -0.00005   -0.00080   -0.00152    0.00000    0.00164
 180 Br1   DXZ       0.00000    0.00000    0.00000   -0.01288    0.00000
 181 Br1   DYZ       0.00000    0.00000    0.00000    0.00020    0.00000
 182 Br1   DXX      -0.05558    0.03000   -0.04470    0.00000   -0.06437
 183 Br1   DYY      -0.04918    0.02583   -0.00707    0.00000    0.04747
 184 Br1   DZZ      -0.03406    0.02439   -0.02260    0.00000   -0.01583
 185 Br1   DXY      -0.00007    0.00108    0.00189    0.00000   -0.00222
 186 Br1   DXZ       0.00000    0.00000    0.00000    0.01705    0.00000
 187 Br1   DYZ       0.00000    0.00000    0.00000   -0.00026    0.00000
 188 Br1   DXX      -0.22374    0.06171   -0.06760    0.00000   -0.03846
 189 Br1   DYY      -0.14026    0.07260   -0.08884    0.00000   -0.08204
 190 Br1   DZZ      -0.13150    0.07150   -0.08776    0.00000   -0.07358
 191 Br1   DXY       0.00073    0.00029   -0.00001    0.00000   -0.00035
 192 Br1   DXZ       0.00000    0.00000    0.00000   -0.00359    0.00000
 193 Br1   DYZ       0.00000    0.00000    0.00000    0.00004    0.00000
  MO:                 181        182        183        184        185    
  Eigenvalues:       4.29576    4.43412    4.43747    4.54613    4.70124
          (ev)     116.89368  120.65846  120.74963  123.70667  127.92738

                       A"         A"         A'         A'         A'     
   1 *C1   S1       -0.00000   -0.00000   -0.22603    0.08314    0.07067
   2 *C1   S         0.00000    0.00000    1.19951   -0.33054   -0.29601
   3 *C1   PX       -0.00000   -0.00000   -0.15555    0.07018    0.07434
   4 *C1   PY        0.00000    0.00000   -0.00018    0.00691   -0.00356
   5 *C1   PZ       -0.19196    0.00875    0.00000    0.00000    0.00000
   6 *C1   S'        0.00000    0.00000    2.27773   -1.49000   -1.61147
   7 *C1   PX'       0.00000    0.00000    0.52940   -0.72681   -0.66928
   8 *C1   PY'       0.00000    0.00000    0.00095    0.00810    0.00867
   9 *C1   PZ'       0.31213    0.09217   -0.00000    0.00000    0.00000
  10 *C1   DXX      -0.00000   -0.00000   -0.83792    0.27760    0.23926
  11 *C1   DYY      -0.00000   -0.00000   -0.81007    0.28110    0.23490
  12 *C1   DZZ      -0.00000   -0.00000   -1.20266    0.39340    0.40001
  13 *C1   DXY       0.00000    0.00000    0.00162   -0.00198    0.00336
  14 *C1   DXZ      -0.13654    0.00517    0.00000    0.00000    0.00000
  15 *C1   DYZ       0.00251   -0.01125    0.00000    0.00000    0.00000
  16 *C4   S1        0.00000   -0.00000   -0.15346    0.00586   -0.23095
  17 *C4   S         0.00000    0.00000    0.92199    0.17365    1.06282
  18 *C4   PX        0.00000   -0.00000   -0.10456    0.05819    0.04407
  19 *C4   PY        0.00000    0.00000   -0.00698    0.02530   -0.01305
  20 *C4   PZ        0.19022    0.03590    0.00000    0.00000    0.00000
  21 *C4   S'        0.00000    0.00000    0.53871    0.14152    3.23647
  22 *C4   PX'      -0.00000    0.00000    0.85237   -0.71178   -0.52560
  23 *C4   PY'       0.00000   -0.00000   -0.10370    0.42853   -0.16085
  24 *C4   PZ'      -0.20294   -1.50126    0.00000    0.00000   -0.00000
  25 *C4   DXX       0.00000   -0.00000   -0.79365   -0.20810   -0.92651
  26 *C4   DYY      -0.00000   -0.00000   -0.58363    0.00022   -0.79422
  27 *C4   DZZ      -0.00000   -0.00000   -0.52958   -0.01908   -1.08253
  28 *C4   DXY       0.00000    0.00000   -0.02377    0.08529   -0.03944
  29 *C4   DXZ      -0.14026    0.00298    0.00000    0.00000    0.00000
  30 *C4   DYZ       0.00681   -0.07723    0.00000    0.00000    0.00000
  31 C2    S1       -0.24444   -0.01995    0.18029   -0.08526   -0.09484
  32 C2    S         1.41222    0.04648   -0.97800    0.29071    0.43297
  33 C2    PX       -0.15361    0.00263    0.00756    0.00691   -0.07728
  34 C2    PY        0.00079    0.01376   -0.00082    0.01443   -0.00323
  35 C2    PZ       -0.06929   -0.00983    0.14323   -0.04059   -0.05372
  36 C2    S'        1.64120    0.56797   -1.90080    2.16962    1.68839
  37 C2    PX'       0.20449    0.18831   -0.25389    0.75904    0.48538
  38 C2    PY'       0.00236   -0.07734   -0.00424   -0.03053   -0.00218
  39 C2    PZ'       0.26859    0.19909   -0.50754    0.48309    0.66842
  40 C2    DXX      -1.16538   -0.06803    0.84551   -0.28229   -0.47708
  41 C2    DYY      -0.91140   -0.06545    0.64654   -0.29223   -0.31383
  42 C2    DZZ      -0.96054   -0.05448    0.80313   -0.31959   -0.38913
  43 C2    DXY       0.00400   -0.01661   -0.00465    0.00347    0.00010
  44 C2    DXZ       0.05524    0.00542   -0.15934    0.04495    0.07099
  45 C2    DYZ      -0.00060   -0.00337    0.00268   -0.00951    0.00180
  46 *C2   S1        0.24444    0.01995    0.18029   -0.08526   -0.09484
  47 *C2   S        -1.41222   -0.04648   -0.97800    0.29071    0.43297
  48 *C2   PX        0.15361   -0.00263    0.00756    0.00691   -0.07728
  49 *C2   PY       -0.00079   -0.01376   -0.00082    0.01443   -0.00323
  50 *C2   PZ       -0.06929   -0.00983   -0.14323    0.04059    0.05372
  51 *C2   S'       -1.64120   -0.56797   -1.90080    2.16962    1.68839
  52 *C2   PX'      -0.20449   -0.18831   -0.25389    0.75904    0.48538
  53 *C2   PY'      -0.00236    0.07734   -0.00424   -0.03053   -0.00218
  54 *C2   PZ'       0.26859    0.19909    0.50754   -0.48309   -0.66842
  55 *C2   DXX       1.16538    0.06803    0.84551   -0.28229   -0.47708
  56 *C2   DYY       0.91140    0.06545    0.64654   -0.29223   -0.31383
  57 *C2   DZZ       0.96054    0.05448    0.80313   -0.31959   -0.38913
  58 *C2   DXY      -0.00400    0.01661   -0.00465    0.00347    0.00010
  59 *C2   DXZ       0.05524    0.00542    0.15934   -0.04495   -0.07099
  60 *C2   DYZ      -0.00060   -0.00337   -0.00268    0.00951   -0.00180
  61 *C3   S1       -0.24551   -0.01816   -0.07003    0.03068    0.14256
  62 *C3   S         1.41501    0.11869    0.31460   -0.21155   -0.64515
  63 *C3   PX        0.14867    0.06646    0.11247   -0.10548   -0.00133
  64 *C3   PY       -0.00525    0.06023   -0.00362   -0.01148    0.00105
  65 *C3   PZ        0.06986   -0.01580   -0.04402    0.00717   -0.12651
  66 *C3   S'        1.59356    1.10679    1.05947   -1.27573   -2.31762
  67 *C3   PX'      -0.21444   -0.21872   -0.37600    1.22911    0.22868
  68 *C3   PY'       0.01075   -0.14418    0.02936   -0.05124    0.02417
  69 *C3   PZ'      -0.24556   -0.44914   -0.34696    0.27401    0.79054
  70 *C3   DXX      -1.16870   -0.10177   -0.39086    0.12621    0.66207
  71 *C3   DYY      -0.91514   -0.06106   -0.25305    0.07918    0.48418
  72 *C3   DZZ      -0.96408   -0.05981   -0.15513    0.20128    0.62103
  73 *C3   DXY       0.00303    0.00348   -0.00209    0.02433   -0.00923
  74 *C3   DXZ       0.06118   -0.00509    0.01985   -0.01995   -0.11497
  75 *C3   DYZ       0.00047   -0.01036   -0.00557    0.02350   -0.00835
  76 C3    S1        0.24551    0.01816   -0.07003    0.03068    0.14256
  77 C3    S        -1.41501   -0.11869    0.31460   -0.21155   -0.64515
  78 C3    PX       -0.14867   -0.06646    0.11247   -0.10548   -0.00133
  79 C3    PY        0.00525   -0.06023   -0.00362   -0.01148    0.00105
  80 C3    PZ        0.06986   -0.01580    0.04402   -0.00717    0.12651
  81 C3    S'       -1.59356   -1.10679    1.05947   -1.27573   -2.31762
  82 C3    PX'       0.21444    0.21872   -0.37600    1.22911    0.22868
  83 C3    PY'      -0.01075    0.14418    0.02936   -0.05124    0.02417
  84 C3    PZ'      -0.24556   -0.44914    0.34696   -0.27401   -0.79054
  85 C3    DXX       1.16870    0.10177   -0.39086    0.12621    0.66207
  86 C3    DYY       0.91514    0.06106   -0.25305    0.07918    0.48418
  87 C3    DZZ       0.96408    0.05981   -0.15513    0.20128    0.62103
  88 C3    DXY      -0.00303   -0.00348   -0.00209    0.02433   -0.00923
  89 C3    DXZ       0.06118   -0.00509   -0.01985    0.01995    0.11497
  90 C3    DYZ       0.00047   -0.01036    0.00557   -0.02350    0.00835
  91 H2    S         0.08008    0.00809   -0.05463    0.01537    0.06628
  92 H2    S'       -0.15270    0.04190    0.07631    0.08439    0.08578
  93 *H2   S        -0.08008   -0.00809   -0.05463    0.01537    0.06628
  94 *H2   S'        0.15270   -0.04190    0.07631    0.08439    0.08578
  95 *H3   S         0.08130    0.02259    0.02061   -0.12874   -0.02440
  96 *H3   S'       -0.15735    0.08323    0.05030   -0.12496   -0.03480
  97 H3    S        -0.08130   -0.02259    0.02061   -0.12874   -0.02440
  98 H3    S'        0.15735   -0.08323    0.05030   -0.12496   -0.03480
  99 C7    S1       -0.00000    0.00000    0.29021    0.29452    0.10789
 100 C7    S         0.00000   -0.00000   -1.53780   -1.34656   -0.53826
 101 C7    PX       -0.00000    0.00000    0.10322   -0.00162    0.00652
 102 C7    PY       -0.00000    0.00000    0.09402   -0.35447    0.13035
 103 C7    PZ       -0.00970    0.41942   -0.00000    0.00000    0.00000
 104 C7    S'        0.00000   -0.00000   -1.32916   -1.28446   -0.87059
 105 C7    PX'      -0.00000    0.00000    0.52882    0.10782    0.13161
 106 C7    PY'      -0.00000    0.00000    0.48315   -1.98716    0.78225
 107 C7    PZ'      -0.16469    3.07941   -0.00000    0.00000    0.00000
 108 C7    DXX      -0.00000    0.00000    1.23283    1.16128    0.51664
 109 C7    DYY      -0.00000    0.00000    1.32217    1.01315    0.50120
 110 C7    DZZ      -0.00000    0.00000    1.22068    1.39775    0.40078
 111 C7    DXY       0.00000    0.00000    0.03658   -0.15176    0.05913
 112 C7    DXZ      -0.00919    0.27201   -0.00000    0.00000    0.00000
 113 C7    DYZ       0.00356   -0.24507    0.00000    0.00000   -0.00000
 114 F1    S1        0.03619   -0.52760   -0.07403    0.17024   -0.11124
 115 F1    S         0.12398   -1.98133   -0.17613    0.70198   -0.39743
 116 F1    PX       -0.00351    0.09548    0.02336   -0.04460    0.02296
 117 F1    PY        0.01283   -0.15821   -0.01310   -0.01033   -0.00861
 118 F1    PZ        0.00800   -0.17579   -0.04131    0.06063   -0.05240
 119 F1    S'       -0.50700    7.78798    0.93069   -2.49380    1.64082
 120 F1    PX'       0.03149   -0.54782   -0.00155    0.29111   -0.08259
 121 F1    PY'      -0.04958    0.78323   -0.11374   -0.03466   -0.02438
 122 F1    PZ'      -0.03682    0.84673   -0.08351   -0.58868    0.18782
 123 F1    DXX       0.15502   -2.21919   -0.31744    0.73408   -0.47134
 124 F1    DYY       0.13939   -2.08778   -0.27279    0.66165   -0.43301
 125 F1    DZZ       0.13179   -1.89153   -0.43694    0.47673   -0.46138
 126 F1    DXY       0.01143   -0.17913    0.06675    0.03060    0.03258
 127 F1    DXZ       0.00273   -0.15585    0.08341    0.20829   -0.00799
 128 F1    DYZ      -0.00659    0.19284   -0.13410   -0.22100   -0.02529
 129 F2    S1       -0.00000    0.00000    0.10634   -0.54009    0.15037
 130 F2    S        -0.00000    0.00000    0.48157   -1.98821    0.62678
 131 F2    PX        0.00000    0.00000   -0.01559    0.12542   -0.05239
 132 F2    PY        0.00000    0.00000   -0.03754    0.26770   -0.07166
 133 F2    PZ       -0.00258    0.10286   -0.00000    0.00000    0.00000
 134 F2    S'        0.00000   -0.00000   -1.63492    7.84971   -2.24006
 135 F2    PX'      -0.00000    0.00000    0.16781   -0.50501    0.23195
 136 F2    PY'      -0.00000    0.00000    0.49625   -0.94587    0.40361
 137 F2    PZ'       0.02699   -0.54280    0.00000    0.00000   -0.00000
 138 F2    DXX      -0.00000    0.00000    0.45157   -2.21558    0.61358
 139 F2    DYY      -0.00000    0.00000    0.10716   -2.09437    0.43989
 140 F2    DZZ      -0.00000    0.00000    0.54337   -2.20987    0.68485
 141 F2    DXY       0.00000   -0.00000   -0.16689    0.10800   -0.11352
 142 F2    DXZ      -0.01099    0.15585   -0.00000    0.00000    0.00000
 143 F2    DYZ      -0.00028    0.01447    0.00000    0.00000    0.00000
 144 F3    S1       -0.03619    0.52760   -0.07403    0.17024   -0.11124
 145 F3    S        -0.12398    1.98133   -0.17613    0.70198   -0.39743
 146 F3    PX        0.00351   -0.09548    0.02336   -0.04460    0.02296
 147 F3    PY       -0.01283    0.15821   -0.01310   -0.01033   -0.00861
 148 F3    PZ        0.00800   -0.17579    0.04131   -0.06063    0.05240
 149 F3    S'        0.50700   -7.78798    0.93069   -2.49380    1.64082
 150 F3    PX'      -0.03149    0.54782   -0.00155    0.29111   -0.08259
 151 F3    PY'       0.04958   -0.78323   -0.11374   -0.03466   -0.02438
 152 F3    PZ'      -0.03682    0.84673    0.08351    0.58868   -0.18782
 153 F3    DXX      -0.15502    2.21919   -0.31744    0.73408   -0.47134
 154 F3    DYY      -0.13939    2.08778   -0.27279    0.66165   -0.43301
 155 F3    DZZ      -0.13179    1.89153   -0.43694    0.47673   -0.46138
 156 F3    DXY      -0.01143    0.17913    0.06675    0.03060    0.03258
 157 F3    DXZ       0.00273   -0.15585   -0.08341   -0.20829    0.00799
 158 F3    DYZ      -0.00659    0.19284    0.13410    0.22100    0.02529
 159 Br1   S         0.00000    0.00000    0.00184   -0.00129   -0.00164
 160 Br1   S         0.00000    0.00000    0.00348    0.00004   -0.00211
 161 Br1   PX        0.00000    0.00000    0.00181   -0.00247   -0.00211
 162 Br1   PY        0.00000    0.00000   -0.00002   -0.00022    0.00006
 163 Br1   PZ       -0.00050   -0.00024    0.00000    0.00000    0.00000
 164 Br1   S         0.00000    0.00000   -0.03301    0.03006    0.03531
 165 Br1   PX        0.00000    0.00000   -0.00552    0.00868    0.00734
 166 Br1   PY        0.00000    0.00000    0.00008    0.00079   -0.00021
 167 Br1   PZ        0.00185    0.00083    0.00000    0.00000    0.00000
 168 Br1   S         0.00000    0.00000    0.04075    0.00812    0.04422
 169 Br1   PX        0.00000    0.00000   -0.01088   -0.04573   -0.03636
 170 Br1   PY        0.00000    0.00000    0.00003   -0.00328    0.00082
 171 Br1   PZ       -0.01119   -0.00295    0.00000    0.00000    0.00000
 172 Br1   S        -0.00000   -0.00000   -0.19896    0.07660    0.07676
 173 Br1   PX       -0.00000   -0.00000   -0.11714    0.04320    0.04701
 174 Br1   PY        0.00000    0.00000    0.00009    0.00591   -0.00133
 175 Br1   PZ       -0.01299   -0.01437    0.00000    0.00000    0.00000
 176 Br1   DXX       0.00000   -0.00000   -0.07849    0.02562    0.05334
 177 Br1   DYY       0.00000    0.00000    0.09130    0.02344   -0.51287
 178 Br1   DZZ       0.00000    0.00000   -0.01641   -0.04408    0.46667
 179 Br1   DXY       0.00000    0.00000    0.00419   -0.00909    0.01665
 180 Br1   DXZ      -0.00471    0.02945    0.00000    0.00000   -0.00000
 181 Br1   DYZ      -0.00038    0.01403    0.00000    0.00000   -0.00000
 182 Br1   DXX       0.00000    0.00000    0.10424   -0.03301   -0.06311
 183 Br1   DYY      -0.00000   -0.00000   -0.13217   -0.03088    0.77170
 184 Br1   DZZ       0.00000    0.00000    0.01898    0.06571   -0.67270
 185 Br1   DXY       0.00000    0.00000   -0.00584    0.01306   -0.02462
 186 Br1   DXZ       0.00717   -0.04106    0.00000    0.00000    0.00000
 187 Br1   DYZ       0.00051   -0.01970    0.00000    0.00000    0.00000
 188 Br1   DXX       0.00000    0.00000   -0.00373   -0.03570    0.00664
 189 Br1   DYY       0.00000    0.00000    0.10260   -0.03930   -0.36371
 190 Br1   DZZ       0.00000    0.00000    0.05958   -0.07059    0.26183
 191 Br1   DXY       0.00000    0.00000    0.00188   -0.00476    0.01071
 192 Br1   DXZ      -0.01017    0.00809    0.00000    0.00000   -0.00000
 193 Br1   DYZ      -0.00002    0.00568    0.00000    0.00000   -0.00000
  MO:                 186        187        188        189        190    
  Eigenvalues:       4.70226    4.73711    4.75946    4.86294    4.98169
          (ev)     127.95518  128.90330  129.51147  132.32733  135.55879

                       A"         A'         A'         A"         A'     
   1 *C1   S1       -0.00000    0.10190    0.00847    0.00000    0.03924
   2 *C1   S         0.00000   -0.40040   -0.03117    0.00000   -0.47002
   3 *C1   PX       -0.00000    0.05958    0.00543    0.00000   -0.00108
   4 *C1   PY        0.00000   -0.00235   -0.03229    0.00000   -0.00063
   5 *C1   PZ        0.00036    0.00000    0.00000   -0.06039    0.00000
   6 *C1   S'        0.00000   -2.03333   -0.18570    0.00000   -0.23612
   7 *C1   PX'       0.00000   -0.47719   -0.04928    0.00000   -0.98510
   8 *C1   PY'      -0.00000   -0.00367    0.21944   -0.00000    0.01146
   9 *C1   PZ'       0.00182   -0.00000    0.00000    1.49275    0.00000
  10 *C1   DXX      -0.00000    0.32421    0.02483    0.00000    0.42360
  11 *C1   DYY      -0.00000    0.33351    0.02907    0.00000    0.15674
  12 *C1   DZZ      -0.00000    0.54383    0.04440    0.00000    0.23308
  13 *C1   DXY      -0.00000    0.00718   -0.08725    0.00000   -0.00278
  14 *C1   DXZ       0.00057    0.00000    0.00000   -0.00151    0.00000
  15 *C1   DYZ       0.01865    0.00000    0.00000   -0.00088    0.00000
  16 *C4   S1        0.00000   -0.19796   -0.02043    0.00000   -0.02001
  17 *C4   S        -0.00000    0.89252    0.09085   -0.00000    0.07683
  18 *C4   PX       -0.00000    0.02884    0.00186    0.00000    0.01347
  19 *C4   PY        0.00000   -0.01465    0.00428    0.00000   -0.00117
  20 *C4   PZ        0.00074    0.00000    0.00000   -0.00463    0.00000
  21 *C4   S'       -0.00000    2.88399    0.29717   -0.00000    0.37244
  22 *C4   PX'       0.00000   -0.39947   -0.06044    0.00000   -0.09015
  23 *C4   PY'       0.00000   -0.17819   -0.05587    0.00000   -0.02090
  24 *C4   PZ'      -0.03130    0.00000   -0.00000   -0.59423    0.00000
  25 *C4   DXX       0.00000   -0.77292   -0.08074    0.00000   -0.07451
  26 *C4   DYY       0.00000   -0.67576   -0.06966    0.00000   -0.06623
  27 *C4   DZZ       0.00000   -0.94410   -0.09552    0.00000   -0.09810
  28 *C4   DXY       0.00000   -0.04348   -0.00501    0.00000   -0.00455
  29 *C4   DXZ      -0.00028    0.00000    0.00000    0.02329    0.00000
  30 *C4   DYZ      -0.00028    0.00000    0.00000   -0.00420    0.00000
  31 C2    S1       -0.00027   -0.10377   -0.00888   -0.01329   -0.03817
  32 C2    S         0.00020    0.49250    0.04141   -0.14323    0.18360
  33 C2    PX        0.00040   -0.04745   -0.00512   -0.00863   -0.00311
  34 C2    PY        0.01137   -0.00499    0.00722    0.00066   -0.00042
  35 C2    PZ       -0.00020   -0.07924   -0.00629    0.00661   -0.03603
  36 C2    S'        0.00984    1.43016    0.13826    1.34962    0.58293
  37 C2    PX'       0.00245    0.05244    0.01232   -0.27453    0.11710
  38 C2    PY'      -0.02265    0.00895   -0.08220    0.00045   -0.00102
  39 C2    PZ'       0.00404    0.69669    0.06804    0.57861    0.37191
  40 C2    DXX      -0.00094   -0.55947   -0.04789    0.09005   -0.20605
  41 C2    DYY      -0.00073   -0.35174   -0.02977   -0.03420   -0.12831
  42 C2    DZZ      -0.00044   -0.41321   -0.03544   -0.00346   -0.15802
  43 C2    DXY      -0.00629    0.00042    0.00804   -0.00229    0.00080
  44 C2    DXZ       0.00009    0.07980    0.00669   -0.02902    0.02228
  45 C2    DYZ       0.00357    0.00287   -0.01145    0.00023   -0.00010
  46 *C2   S1        0.00027   -0.10377   -0.00888    0.01329   -0.03817
  47 *C2   S        -0.00020    0.49250    0.04141    0.14323    0.18360
  48 *C2   PX       -0.00040   -0.04745   -0.00512    0.00863   -0.00311
  49 *C2   PY       -0.01137   -0.00499    0.00722   -0.00066   -0.00042
  50 *C2   PZ       -0.00020    0.07924    0.00629    0.00661    0.03603
  51 *C2   S'       -0.00984    1.43016    0.13826   -1.34962    0.58293
  52 *C2   PX'      -0.00245    0.05244    0.01232    0.27453    0.11710
  53 *C2   PY'       0.02265    0.00895   -0.08220   -0.00045   -0.00102
  54 *C2   PZ'       0.00404   -0.69669   -0.06804    0.57861   -0.37191
  55 *C2   DXX       0.00094   -0.55947   -0.04789   -0.09005   -0.20605
  56 *C2   DYY       0.00073   -0.35174   -0.02977    0.03420   -0.12831
  57 *C2   DZZ       0.00044   -0.41321   -0.03544    0.00346   -0.15802
  58 *C2   DXY       0.00629    0.00042    0.00804    0.00229    0.00080
  59 *C2   DXZ       0.00009   -0.07980   -0.00669   -0.02902   -0.02228
  60 *C2   DYZ       0.00357   -0.00287    0.01145    0.00023    0.00010
  61 *C3   S1       -0.00014    0.12461    0.01229   -0.01361    0.01512
  62 *C3   S         0.00111   -0.58742   -0.05389   -0.03748   -0.10656
  63 *C3   PX        0.00131   -0.01410    0.00025   -0.02182   -0.01254
  64 *C3   PY        0.00302    0.00263   -0.00036    0.00295    0.00014
  65 *C3   PZ       -0.00032   -0.11782   -0.01176    0.01155   -0.00999
  66 *C3   S'        0.02099   -1.73265   -0.18839    0.63855   -0.32764
  67 *C3   PX'      -0.00352   -0.06709   -0.00393   -0.00028   -0.00042
  68 *C3   PY'      -0.01469    0.02443    0.03141   -0.00631    0.00433
  69 *C3   PZ'      -0.00888    0.74833    0.08159   -0.43311    0.10586
  70 *C3   DXX      -0.00097    0.63841    0.06032    0.03042    0.12241
  71 *C3   DYY      -0.00043    0.42326    0.04174   -0.04364    0.04667
  72 *C3   DZZ      -0.00048    0.53601    0.05143   -0.02004    0.07663
  73 *C3   DXY       0.00408   -0.01126   -0.00349   -0.00094   -0.00146
  74 *C3   DXZ      -0.00010   -0.10551   -0.01029   -0.01417   -0.00730
  75 *C3   DYZ       0.00001   -0.00914   -0.00090   -0.00015   -0.00130
  76 C3    S1        0.00014    0.12461    0.01229    0.01361    0.01512
  77 C3    S        -0.00111   -0.58742   -0.05389    0.03748   -0.10656
  78 C3    PX       -0.00131   -0.01410    0.00025    0.02182   -0.01254
  79 C3    PY       -0.00302    0.00263   -0.00036   -0.00295    0.00014
  80 C3    PZ       -0.00032    0.11782    0.01176    0.01155    0.00999
  81 C3    S'       -0.02099   -1.73265   -0.18839   -0.63855   -0.32764
  82 C3    PX'       0.00352   -0.06709   -0.00393    0.00028   -0.00042
  83 C3    PY'       0.01469    0.02443    0.03141    0.00631    0.00433
  84 C3    PZ'      -0.00888   -0.74833   -0.08159   -0.43311   -0.10586
  85 C3    DXX       0.00097    0.63841    0.06032   -0.03042    0.12241
  86 C3    DYY       0.00043    0.42326    0.04174    0.04364    0.04667
  87 C3    DZZ       0.00048    0.53601    0.05143    0.02004    0.07663
  88 C3    DXY      -0.00408   -0.01126   -0.00349    0.00094   -0.00146
  89 C3    DXZ      -0.00010    0.10551    0.01029   -0.01417    0.00730
  90 C3    DYZ       0.00001    0.00914    0.00090   -0.00015    0.00130
  91 H2    S        -0.00004    0.03455    0.00417   -0.00696    0.01910
  92 H2    S'        0.00101    0.05069    0.00610    0.00356    0.13170
  93 *H2   S         0.00004    0.03455    0.00417    0.00696    0.01910
  94 *H2   S'       -0.00101    0.05069    0.00610   -0.00356    0.13170
  95 *H3   S         0.00037   -0.01972   -0.00099    0.02168   -0.00376
  96 *H3   S'        0.00148   -0.02357   -0.00505    0.07076    0.01173
  97 H3    S        -0.00037   -0.01972   -0.00099   -0.02168   -0.00376
  98 H3    S'       -0.00148   -0.02357   -0.00505   -0.07076    0.01173
  99 C7    S1       -0.00000    0.05686    0.00496    0.00000    0.00198
 100 C7    S         0.00000   -0.33680   -0.04099    0.00000   -0.00955
 101 C7    PX       -0.00000    0.01527    0.00498    0.00000   -0.00607
 102 C7    PY       -0.00000    0.14321    0.01778    0.00000    0.01341
 103 C7    PZ        0.00758    0.00000    0.00000    0.00915    0.00000
 104 C7    S'        0.00000   -0.49278    0.02901   -0.00000   -0.12048
 105 C7    PX'      -0.00000    0.09775    0.02291   -0.00000   -0.04228
 106 C7    PY'      -0.00000    0.86696    0.12818   -0.00000    0.08803
 107 C7    PZ'       0.06203    0.00000    0.00000    0.29681    0.00000
 108 C7    DXX      -0.00000    0.31468    0.03263    0.00000    0.01695
 109 C7    DYY      -0.00000    0.31182    0.03514    0.00000    0.00830
 110 C7    DZZ      -0.00000    0.19467    0.01958    0.00000   -0.00133
 111 C7    DXY      -0.00000    0.06348    0.00821    0.00000    0.00618
 112 C7    DXZ       0.00491    0.00000    0.00000    0.00407    0.00000
 113 C7    DYZ      -0.00473    0.00000    0.00000   -0.00265    0.00000
 114 F1    S1       -0.00943   -0.10528   -0.00850   -0.02170   -0.01839
 115 F1    S        -0.03753   -0.38605   -0.03002   -0.09165   -0.07445
 116 F1    PX        0.00210    0.02504    0.00297   -0.00179    0.00317
 117 F1    PY       -0.00283   -0.00490    0.00142   -0.00986   -0.00202
 118 F1    PZ       -0.00299   -0.04667   -0.00418   -0.00453   -0.00776
 119 F1    S'        0.14453    1.54780    0.11977    0.37470    0.28852
 120 F1    PX'      -0.01131   -0.09826   -0.01075   -0.01024   -0.01508
 121 F1    PY'       0.01488   -0.02637   -0.01335    0.05178    0.01049
 122 F1    PZ'       0.01546    0.20045    0.01517    0.03131    0.04536
 123 F1    DXX      -0.03930   -0.44657   -0.03684   -0.09747   -0.07480
 124 F1    DYY      -0.03731   -0.41239   -0.03357   -0.07385   -0.07480
 125 F1    DZZ      -0.03427   -0.41625   -0.03404   -0.08168   -0.06768
 126 F1    DXY      -0.00317    0.02385    0.00365   -0.00604    0.00057
 127 F1    DXZ      -0.00286   -0.02420   -0.00284   -0.00221   -0.00520
 128 F1    DYZ       0.00349   -0.00224   -0.00214    0.00512    0.00547
 129 F2    S1       -0.00000    0.18132    0.02860    0.00000    0.00843
 130 F2    S        -0.00000    0.74478    0.11767   -0.00000    0.03664
 131 F2    PX        0.00000   -0.05825   -0.00646    0.00000   -0.00598
 132 F2    PY        0.00000   -0.08851   -0.01361    0.00000   -0.00473
 133 F2    PZ        0.00199    0.00000    0.00000    0.01104    0.00000
 134 F2    S'        0.00000   -2.72501   -0.44196    0.00000   -0.12393
 135 F2    PX'      -0.00000    0.25440    0.03212    0.00000    0.02329
 136 F2    PY'      -0.00000    0.44758    0.07346   -0.00000    0.01439
 137 F2    PZ'      -0.01095    0.00000    0.00000   -0.05538    0.00000
 138 F2    DXX      -0.00000    0.73784    0.11768   -0.00000    0.03435
 139 F2    DYY      -0.00000    0.58569    0.09391   -0.00000    0.03012
 140 F2    DZZ      -0.00000    0.80085    0.12306   -0.00000    0.03696
 141 F2    DXY       0.00000   -0.10660   -0.01357    0.00000   -0.00717
 142 F2    DXZ       0.00265    0.00000    0.00000    0.00482    0.00000
 143 F2    DYZ       0.00077    0.00000    0.00000    0.01343    0.00000
 144 F3    S1        0.00943   -0.10528   -0.00850    0.02170   -0.01839
 145 F3    S         0.03753   -0.38605   -0.03002    0.09165   -0.07445
 146 F3    PX       -0.00210    0.02504    0.00297    0.00179    0.00317
 147 F3    PY        0.00283   -0.00490    0.00142    0.00986   -0.00202
 148 F3    PZ       -0.00299    0.04667    0.00418   -0.00453    0.00776
 149 F3    S'       -0.14453    1.54780    0.11977   -0.37470    0.28852
 150 F3    PX'       0.01131   -0.09826   -0.01075    0.01024   -0.01508
 151 F3    PY'      -0.01488   -0.02637   -0.01335   -0.05178    0.01049
 152 F3    PZ'       0.01546   -0.20045   -0.01517    0.03131   -0.04536
 153 F3    DXX       0.03930   -0.44657   -0.03684    0.09747   -0.07480
 154 F3    DYY       0.03731   -0.41239   -0.03357    0.07385   -0.07480
 155 F3    DZZ       0.03427   -0.41625   -0.03404    0.08168   -0.06768
 156 F3    DXY       0.00317    0.02385    0.00365    0.00604    0.00057
 157 F3    DXZ      -0.00286    0.02420    0.00284   -0.00221    0.00520
 158 F3    DYZ       0.00349    0.00224    0.00214    0.00512   -0.00547
 159 Br1   S         0.00000   -0.00015   -0.00005    0.00000   -0.00358
 160 Br1   S         0.00000   -0.00034   -0.00006    0.00000   -0.01991
 161 Br1   PX        0.00000    0.00157    0.00007    0.00000   -0.01223
 162 Br1   PY        0.00000    0.00004    0.00003    0.00000    0.00011
 163 Br1   PZ       -0.00001    0.00000    0.00000   -0.00409    0.00000
 164 Br1   S        -0.00000    0.00257    0.00097    0.00000    0.04945
 165 Br1   PX       -0.00000   -0.00603   -0.00027    0.00000    0.04310
 166 Br1   PY        0.00000   -0.00016   -0.00003    0.00000   -0.00040
 167 Br1   PZ        0.00003    0.00000    0.00000    0.01458    0.00000
 168 Br1   S        -0.00000    0.00351    0.00149    0.00000    0.12341
 169 Br1   PX        0.00000    0.04048    0.00200    0.00000   -0.14949
 170 Br1   PY        0.00000    0.00014    0.00651    0.00000    0.00143
 171 Br1   PZ       -0.00015    0.00000    0.00000   -0.05359    0.00000
 172 Br1   S        -0.00000    0.05434    0.00533    0.00000   -0.63099
 173 Br1   PX       -0.00000    0.04432    0.00353    0.00000   -0.48989
 174 Br1   PY        0.00000    0.00149   -0.07170    0.00000    0.00410
 175 Br1   PZ        0.00002    0.00000    0.00000   -0.15979    0.00000
 176 Br1   DXX      -0.00000    0.09414   -0.00470    0.00000   -0.80068
 177 Br1   DYY       0.00000    0.46808    0.03181    0.00000    0.43079
 178 Br1   DZZ      -0.00000   -0.56203   -0.02693    0.00000    0.38356
 179 Br1   DXY      -0.00000    0.06246   -0.82137    0.00000    0.01226
 180 Br1   DXZ      -0.00543    0.00000   -0.00000   -0.81986    0.00000
 181 Br1   DYZ      -0.82638   -0.00000   -0.00000    0.00588   -0.00000
 182 Br1   DXX       0.00000   -0.14005    0.00735    0.00000    1.33430
 183 Br1   DYY      -0.00000   -0.69326   -0.04698    0.00000   -0.58652
 184 Br1   DZZ       0.00000    0.83541    0.04058    0.00000   -0.51352
 185 Br1   DXY       0.00000   -0.09284    1.22634   -0.00000   -0.01914
 186 Br1   DXZ       0.00801    0.00000    0.00000    1.24877    0.00000
 187 Br1   DYZ       1.21879    0.00000    0.00000   -0.00897    0.00000
 188 Br1   DXX       0.00000    0.09746   -0.00163    0.00000   -0.77565
 189 Br1   DYY       0.00000    0.30870    0.02110    0.00000    0.45231
 190 Br1   DZZ      -0.00000   -0.38242   -0.01978    0.00000    0.41061
 191 Br1   DXY      -0.00000    0.04239   -0.58365    0.00000    0.01226
 192 Br1   DXZ      -0.00351    0.00000   -0.00000   -0.69638    0.00000
 193 Br1   DYZ      -0.52801   -0.00000   -0.00000    0.00512   -0.00000
  MO:                 191        192        193    
  Eigenvalues:       5.46282    6.28356   90.36309
          (ev)     148.65088  170.98456 2458.90578

                       A'         A'         A'     
   1 *C1   S1       -0.02039   -0.00777   -0.00060
   2 *C1   S        -0.02133    0.03525    0.00387
   3 *C1   PX       -0.04116    0.00890    0.00736
   4 *C1   PY       -0.00730   -0.00026   -0.00010
   5 *C1   PZ        0.00000    0.00000    0.00000
   6 *C1   S'        0.63433    0.45813    0.16749
   7 *C1   PX'       0.47757    0.54081    0.21496
   8 *C1   PY'       0.05931   -0.00409   -0.00194
   9 *C1   PZ'      -0.00000    0.00000    0.00000
  10 *C1   DXX      -0.03802   -0.10290   -0.03695
  11 *C1   DYY      -0.06856   -0.02731   -0.00212
  12 *C1   DZZ      -0.03263   -0.05562   -0.00808
  13 *C1   DXY       0.00399    0.00080    0.00035
  14 *C1   DXZ       0.00000    0.00000    0.00000
  15 *C1   DYZ       0.00000    0.00000    0.00000
  16 *C4   S1        0.02802    0.00482    0.00117
  17 *C4   S        -0.54332   -0.00069    0.00539
  18 *C4   PX        0.02755   -0.00810   -0.00303
  19 *C4   PY        0.03229    0.00051    0.00001
  20 *C4   PZ        0.00000    0.00000    0.00000
  21 *C4   S'        1.45235   -0.24693   -0.09956
  22 *C4   PX'       3.70522    0.30186    0.10232
  23 *C4   PY'      -0.26901   -0.00963   -0.00231
  24 *C4   PZ'       0.00000    0.00000    0.00000
  25 *C4   DXX       0.49692    0.01673    0.00149
  26 *C4   DYY       0.14779    0.01369    0.00229
  27 *C4   DZZ       0.25034    0.01103   -0.00037
  28 *C4   DXY       0.00591   -0.00028   -0.00014
  29 *C4   DXZ       0.00000    0.00000    0.00000
  30 *C4   DYZ       0.00000    0.00000    0.00000
  31 C2    S1        0.00280    0.01026    0.00197
  32 C2    S        -0.02253   -0.02445    0.00090
  33 C2    PX       -0.03713    0.00935    0.00523
  34 C2    PY        0.01267    0.00014   -0.00002
  35 C2    PZ       -0.02303    0.00275   -0.00047
  36 C2    S'       -1.20486   -0.55308   -0.20965
  37 C2    PX'      -0.40478   -0.29937   -0.13368
  38 C2    PY'      -0.07819    0.00086    0.00090
  39 C2    PZ'      -0.19760   -0.26128   -0.10368
  40 C2    DXX       0.00985    0.04871    0.00895
  41 C2    DYY      -0.00711    0.02948    0.00398
  42 C2    DZZ       0.02983    0.03145    0.00385
  43 C2    DXY      -0.00598   -0.00036   -0.00007
  44 C2    DXZ      -0.00057   -0.01687   -0.00451
  45 C2    DYZ      -0.00643    0.00011    0.00005
  46 *C2   S1        0.00280    0.01026    0.00197
  47 *C2   S        -0.02253   -0.02445    0.00090
  48 *C2   PX       -0.03713    0.00935    0.00523
  49 *C2   PY        0.01267    0.00014   -0.00002
  50 *C2   PZ        0.02303   -0.00275    0.00047
  51 *C2   S'       -1.20486   -0.55308   -0.20965
  52 *C2   PX'      -0.40478   -0.29937   -0.13368
  53 *C2   PY'      -0.07819    0.00086    0.00090
  54 *C2   PZ'       0.19760    0.26128    0.10368
  55 *C2   DXX       0.00985    0.04871    0.00895
  56 *C2   DYY      -0.00711    0.02948    0.00398
  57 *C2   DZZ       0.02983    0.03145    0.00385
  58 *C2   DXY      -0.00598   -0.00036   -0.00007
  59 *C2   DXZ       0.00057    0.01687    0.00451
  60 *C2   DYZ       0.00643   -0.00011   -0.00005
  61 *C3   S1       -0.02518   -0.00465   -0.00137
  62 *C3   S        -0.04035   -0.01110   -0.00785
  63 *C3   PX        0.00301   -0.00262   -0.00250
  64 *C3   PY       -0.02481   -0.00042   -0.00002
  65 *C3   PZ        0.02400   -0.00323   -0.00176
  66 *C3   S'        1.53524    0.50291    0.20095
  67 *C3   PX'      -1.00544   -0.18698   -0.07768
  68 *C3   PY'       0.16774    0.00556    0.00141
  69 *C3   PZ'      -0.85968   -0.16397   -0.06045
  70 *C3   DXX      -0.04565   -0.01327   -0.00016
  71 *C3   DYY      -0.07737   -0.00805   -0.00153
  72 *C3   DZZ      -0.06116   -0.00668   -0.00005
  73 *C3   DXY       0.02050    0.00028   -0.00003
  74 *C3   DXZ       0.06849    0.00504    0.00079
  75 *C3   DYZ      -0.02610   -0.00054   -0.00006
  76 C3    S1       -0.02518   -0.00465   -0.00137
  77 C3    S        -0.04035   -0.01110   -0.00785
  78 C3    PX        0.00301   -0.00262   -0.00250
  79 C3    PY       -0.02481   -0.00042   -0.00002
  80 C3    PZ       -0.02400    0.00323    0.00176
  81 C3    S'        1.53524    0.50291    0.20095
  82 C3    PX'      -1.00544   -0.18698   -0.07768
  83 C3    PY'       0.16774    0.00556    0.00141
  84 C3    PZ'       0.85968    0.16397    0.06045
  85 C3    DXX      -0.04565   -0.01327   -0.00016
  86 C3    DYY      -0.07737   -0.00805   -0.00153
  87 C3    DZZ      -0.06116   -0.00668   -0.00005
  88 C3    DXY       0.02050    0.00028   -0.00003
  89 C3    DXZ      -0.06849   -0.00504   -0.00079
  90 C3    DYZ       0.02610    0.00054    0.00006
  91 H2    S         0.00549   -0.02726   -0.01168
  92 H2    S'       -0.00828   -0.07332   -0.03475
  93 *H2   S         0.00549   -0.02726   -0.01168
  94 *H2   S'       -0.00828   -0.07332   -0.03475
  95 *H3   S         0.07811    0.00373    0.00066
  96 *H3   S'        0.35339    0.04124    0.01627
  97 H3    S         0.07811    0.00373    0.00066
  98 H3    S'        0.35339    0.04124    0.01627
  99 C7    S1        0.12157    0.00090   -0.00009
 100 C7    S         1.18927    0.02586    0.00170
 101 C7    PX       -0.39469   -0.00269    0.00126
 102 C7    PY        0.05969    0.00258    0.00046
 103 C7    PZ        0.00000    0.00000    0.00000
 104 C7    S'      -11.07633   -0.26109   -0.04690
 105 C7    PX'      -0.51400    0.02625    0.01304
 106 C7    PY'       0.58766    0.02730    0.00726
 107 C7    PZ'       0.00000    0.00000    0.00000
 108 C7    DXX      -0.17403   -0.00953   -0.00145
 109 C7    DYY      -0.23718   -0.00825   -0.00104
 110 C7    DZZ      -0.33271   -0.01254   -0.00176
 111 C7    DXY       0.03762    0.00101    0.00010
 112 C7    DXZ       0.00000    0.00000    0.00000
 113 C7    DYZ       0.00000    0.00000    0.00000
 114 F1    S1       -0.56884   -0.00991   -0.00093
 115 F1    S        -2.58644   -0.04763   -0.00505
 116 F1    PX        0.07685    0.00239    0.00050
 117 F1    PY       -0.11599   -0.00183   -0.00013
 118 F1    PZ       -0.23732   -0.00357   -0.00015
 119 F1    S'        9.89469    0.17858    0.01837
 120 F1    PX'      -0.56247   -0.01410   -0.00246
 121 F1    PY'       0.85655    0.01447    0.00112
 122 F1    PZ'       1.71352    0.03098    0.00286
 123 F1    DXX      -2.29539   -0.04057   -0.00383
 124 F1    DYY      -2.28631   -0.03960   -0.00370
 125 F1    DZZ      -2.00731   -0.03399   -0.00302
 126 F1    DXY      -0.08444   -0.00228   -0.00037
 127 F1    DXZ      -0.16992   -0.00308   -0.00012
 128 F1    DYZ       0.23596    0.00424    0.00026
 129 F2    S1       -0.42788   -0.00414    0.00018
 130 F2    S        -1.96230   -0.02080    0.00094
 131 F2    PX        0.02665    0.00033   -0.00004
 132 F2    PY        0.20589    0.00189   -0.00013
 133 F2    PZ        0.00000    0.00000    0.00000
 134 F2    S'        7.59301    0.08126   -0.00264
 135 F2    PX'      -0.28404   -0.00310    0.00041
 136 F2    PY'      -1.58913   -0.02109   -0.00047
 137 F2    PZ'       0.00000    0.00000    0.00000
 138 F2    DXX      -1.72429   -0.01747    0.00031
 139 F2    DYY      -1.39887   -0.01141    0.00119
 140 F2    DZZ      -1.80678   -0.01729    0.00090
 141 F2    DXY       0.11324    0.00151   -0.00001
 142 F2    DXZ       0.00000    0.00000    0.00000
 143 F2    DYZ       0.00000    0.00000    0.00000
 144 F3    S1       -0.56884   -0.00991   -0.00093
 145 F3    S        -2.58644   -0.04763   -0.00505
 146 F3    PX        0.07685    0.00239    0.00050
 147 F3    PY       -0.11599   -0.00183   -0.00013
 148 F3    PZ        0.23732    0.00357    0.00015
 149 F3    S'        9.89469    0.17858    0.01837
 150 F3    PX'      -0.56247   -0.01410   -0.00246
 151 F3    PY'       0.85655    0.01447    0.00112
 152 F3    PZ'      -1.71352   -0.03098   -0.00286
 153 F3    DXX      -2.29539   -0.04057   -0.00383
 154 F3    DYY      -2.28631   -0.03960   -0.00370
 155 F3    DZZ      -2.00731   -0.03399   -0.00302
 156 F3    DXY      -0.08444   -0.00228   -0.00037
 157 F3    DXZ       0.16992    0.00308    0.00012
 158 F3    DYZ      -0.23596   -0.00424   -0.00026
 159 Br1   S         0.00153   -0.07598    0.55851
 160 Br1   S         0.00383   -0.35292    4.15971
 161 Br1   PX        0.00223    0.00759    0.00309
 162 Br1   PY       -0.00041   -0.00008   -0.00003
 163 Br1   PZ        0.00000    0.00000    0.00000
 164 Br1   S        -0.03170    1.34053   27.74052
 165 Br1   PX       -0.00802   -0.02684   -0.01106
 166 Br1   PY        0.00144    0.00028    0.00011
 167 Br1   PZ        0.00000    0.00000    0.00000
 168 Br1   S        -0.11691   10.75515    8.69651
 169 Br1   PX        0.04616    0.11695    0.04982
 170 Br1   PY       -0.00584   -0.00120   -0.00048
 171 Br1   PZ        0.00000    0.00000    0.00000
 172 Br1   S         0.02754   -0.28554   -0.06248
 173 Br1   PX        0.02053    0.02612    0.00373
 174 Br1   PY       -0.00289   -0.00023   -0.00001
 175 Br1   PZ        0.00000    0.00000    0.00000
 176 Br1   DXX       0.00860    0.17324   11.52120
 177 Br1   DYY      -0.00187    0.12468   11.51771
 178 Br1   DZZ      -0.01474    0.11367   11.51681
 179 Br1   DXY      -0.00744   -0.00057   -0.00004
 180 Br1   DXZ       0.00000    0.00000    0.00000
 181 Br1   DYZ       0.00000    0.00000    0.00000
 182 Br1   DXX      -0.04694    2.45421    4.67639
 183 Br1   DYY      -0.02876    2.54600    4.68837
 184 Br1   DZZ      -0.00737    2.56596    4.69126
 185 Br1   DXY       0.01252    0.00107    0.00013
 186 Br1   DXZ      -0.00000    0.00000    0.00000
 187 Br1   DYZ       0.00000    0.00000    0.00000
 188 Br1   DXX       0.01568    3.62780    2.65731
 189 Br1   DYY      -0.01007    3.50311    2.62035
 190 Br1   DZZ      -0.02733    3.48284    2.61386
 191 Br1   DXY      -0.01196   -0.00146   -0.00040
 192 Br1   DXZ       0.00000    0.00000    0.00000
 193 Br1   DYZ       0.00000    0.00000    0.00000

  Dipole moment:  X =  -0.747860  Y =  -0.097531  Z =   0.000000
  Total Dipole:   0.754193 Debye

  Mulliken Population Analysis

    AO  atom type      Occupancy
    --  ---- ----      ---------

     1  *C1   S1       1.991986
     2  *C1   S        0.721557
     3  *C1   PX       0.596710
     4  *C1   PY       0.604662
     5  *C1   PZ       0.797288
     6  *C1   S'       0.532057
     7  *C1   PX'      0.155762
     8  *C1   PY'      0.412938
     9  *C1   PZ'      0.158120
    10  *C1   DXX      0.005188
    11  *C1   DYY     -0.023764
    12  *C1   DZZ      0.003724
    13  *C1   DXY      0.005523
    14  *C1   DXZ      0.013623
    15  *C1   DYZ      0.006824
    16  *C4   S1       1.991856
    17  *C4   S        0.714672
    18  *C4   PX       0.721368
    19  *C4   PY       0.609856
    20  *C4   PZ       0.777172
    21  *C4   S'       0.478504
    22  *C4   PX'      0.200670
    23  *C4   PY'      0.407906
    24  *C4   PZ'      0.099011
    25  *C4   DXX      0.006482
    26  *C4   DYY     -0.023342
    27  *C4   DZZ      0.003729
    28  *C4   DXY      0.003136
    29  *C4   DXZ      0.010869
    30  *C4   DYZ      0.006591
    31  C2    S1       1.991904
    32  C2    S        0.711859
    33  C2    PX       0.758981
    34  C2    PY       0.572925
    35  C2    PZ       0.751614
    36  C2    S'       0.518563
    37  C2    PX'      0.200639
    38  C2    PY'      0.418527
    39  C2    PZ'      0.214016
    40  C2    DXX      0.002848
    41  C2    DYY     -0.024677
    42  C2    DZZ      0.009917
    43  C2    DXY      0.004961
    44  C2    DXZ      0.013908
    45  C2    DYZ      0.003290
    46  *C2   S1       1.991904
    47  *C2   S        0.711859
    48  *C2   PX       0.758981
    49  *C2   PY       0.572925
    50  *C2   PZ       0.751614
    51  *C2   S'       0.518563
    52  *C2   PX'      0.200639
    53  *C2   PY'      0.418527
    54  *C2   PZ'      0.214016
    55  *C2   DXX      0.002848
    56  *C2   DYY     -0.024677
    57  *C2   DZZ      0.009917
    58  *C2   DXY      0.004961
    59  *C2   DXZ      0.013908
    60  *C2   DYZ      0.003290
    61  *C3   S1       1.991912
    62  *C3   S        0.712700
    63  *C3   PX       0.761286
    64  *C3   PY       0.557269
    65  *C3   PZ       0.759675
    66  *C3   S'       0.524496
    67  *C3   PX'      0.189313
    68  *C3   PY'      0.413661
    69  *C3   PZ'      0.231375
    70  *C3   DXX      0.003353
    71  *C3   DYY     -0.024689
    72  *C3   DZZ      0.009714
    73  *C3   DXY      0.005507
    74  *C3   DXZ      0.013668
    75  *C3   DYZ      0.003297
    76  C3    S1       1.991912
    77  C3    S        0.712700
    78  C3    PX       0.761286
    79  C3    PY       0.557269
    80  C3    PZ       0.759675
    81  C3    S'       0.524496
    82  C3    PX'      0.189313
    83  C3    PY'      0.413661
    84  C3    PZ'      0.231375
    85  C3    DXX      0.003353
    86  C3    DYY     -0.024689
    87  C3    DZZ      0.009714
    88  C3    DXY      0.005507
    89  C3    DXZ      0.013668
    90  C3    DYZ      0.003297
    91  H2    S        0.528807
    92  H2    S'       0.303475
    93  *H2   S        0.528807
    94  *H2   S'       0.303475
    95  *H3   S        0.528725
    96  *H3   S'       0.305881
    97  H3    S        0.528725
    98  H3    S'       0.305881
    99  C7    S1       1.992180
   100  C7    S        0.735398
   101  C7    PX       0.733297
   102  C7    PY       0.543234
   103  C7    PZ       0.539157
   104  C7    S'       0.122977
   105  C7    PX'      0.186099
   106  C7    PY'      0.126158
   107  C7    PZ'      0.125674
   108  C7    DXX      0.008135
   109  C7    DYY      0.006952
   110  C7    DZZ      0.007312
   111  C7    DXY      0.026401
   112  C7    DXZ      0.026437
   113  C7    DYZ      0.034795
   114  F1    S1       1.993283
   115  F1    S        0.948229
   116  F1    PX       1.152249
   117  F1    PY       1.137848
   118  F1    PZ       1.023361
   119  F1    S'       0.977588
   120  F1    PX'      0.693582
   121  F1    PY'      0.679855
   122  F1    PZ'      0.609122
   123  F1    DXX      0.009748
   124  F1    DYY      0.010915
   125  F1    DZZ      0.021925
   126  F1    DXY      0.001883
   127  F1    DXZ      0.004326
   128  F1    DYZ      0.004630
   129  F2    S1       1.993299
   130  F2    S        0.948480
   131  F2    PX       1.161632
   132  F2    PY       0.966678
   133  F2    PZ       1.183955
   134  F2    S'       0.974139
   135  F2    PX'      0.698223
   136  F2    PY'      0.568332
   137  F2    PZ'      0.710763
   138  F2    DXX      0.008911
   139  F2    DYY      0.029213
   140  F2    DZZ      0.006575
   141  F2    DXY      0.005016
   142  F2    DXZ      0.000630
   143  F2    DYZ      0.003120
   144  F3    S1       1.993283
   145  F3    S        0.948229
   146  F3    PX       1.152249
   147  F3    PY       1.137848
   148  F3    PZ       1.023361
   149  F3    S'       0.977588
   150  F3    PX'      0.693582
   151  F3    PY'      0.679855
   152  F3    PZ'      0.609122
   153  F3    DXX      0.009748
   154  F3    DYY      0.010915
   155  F3    DZZ      0.021925
   156  F3    DXY      0.001883
   157  F3    DXZ      0.004326
   158  F3    DYZ      0.004630
   159  Br1   S        1.998215
   160  Br1   S        1.986628
   161  Br1   PX       1.999632
   162  Br1   PY       1.999797
   163  Br1   PZ       1.999780
   164  Br1   S        1.932646
   165  Br1   PX       1.992965
   166  Br1   PY       1.996145
   167  Br1   PZ       1.996058
   168  Br1   S        1.625069
   169  Br1   PX       0.991406
   170  Br1   PY       1.395580
   171  Br1   PZ       1.417681
   172  Br1   S        0.350095
   173  Br1   PX       0.169391
   174  Br1   PY       0.550846
   175  Br1   PZ       0.554637
   176  Br1   DXX      0.949929
   177  Br1   DYY      0.950139
   178  Br1   DZZ      0.950155
   179  Br1   DXY      1.389124
   180  Br1   DXZ      1.388882
   181  Br1   DYZ      1.390513
   182  Br1   DXX      0.399743
   183  Br1   DYY      0.398574
   184  Br1   DZZ      0.398026
   185  Br1   DXY      0.583937
   186  Br1   DXZ      0.583570
   187  Br1   DYZ      0.582876
   188  Br1   DXX      0.048839
   189  Br1   DYY     -0.003615
   190  Br1   DZZ     -0.002584
   191  Br1   DXY      0.036587
   192  Br1   DXZ      0.033660
   193  Br1   DYZ      0.026736

   Atom         Occupancy      Charge  
   ------      -----------  -----------

   *C1          5.982199     0.017801
   *C4          6.008478    -0.008478
   C2           6.149275    -0.149275
   *C2          6.149275    -0.149275
   *C3          6.152537    -0.152537
   C3           6.152537    -0.152537
   H2           0.832282     0.167718
   *H2          0.832282     0.167718
   *H3          0.834605     0.165395
   H3           0.834605     0.165395
   C7           5.214206     0.785794
   F1           9.268544    -0.268544
   F2           9.258965    -0.258965
   F3           9.268544    -0.268544
   Br1         35.061664    -0.061664
  Total Charge =    0.00
  Fitted Dipole :  x  =   -1.3099,  y  =   -0.0469,  z  =    0.0000  =    1.3107 debye
   
Q-minus(Mulliken) =  -0.2685
Q-plus(Mulliken)  =   0.1677


  Natural Atomic Orbital Populations

  Nao  Atom    Type   Basis  Occupancy
  --- ------  ------- -----  ---------

    1 *C1     S        MIN    1.998573
    2 *C1     S        MIN    0.956241
    3 *C1     S        RYD    0.000832
    4 *C1     S        RYD    0.000053
    5 *C1     PX       MIN    0.974242
    6 *C1     PX       RYD    0.007205
    7 *C1     PY       MIN    1.053353
    8 *C1     PY       RYD    0.001138
    9 *C1     PZ       MIN    1.099693
   10 *C1     PZ       RYD    0.008470
   11 *C1     DXY      RYD    0.000840
   12 *C1     DXZ      RYD    0.000999
   13 *C1     DYZ      RYD    0.000662
   14 *C1     DXX-YY   RYD    0.001392
   15 *C1     D3ZZ-RR  RYD    0.001024
   16 *C4     S        MIN    1.998844
   17 *C4     S        MIN    0.908061
   18 *C4     S        RYD    0.000860
   19 *C4     S        RYD    0.000104
   20 *C4     PX       MIN    1.084767
   21 *C4     PX       RYD    0.005210
   22 *C4     PY       MIN    1.054826
   23 *C4     PY       RYD    0.001876
   24 *C4     PZ       MIN    1.110551
   25 *C4     PZ       RYD    0.004288
   26 *C4     DXY      RYD    0.000431
   27 *C4     DXZ      RYD    0.000704
   28 *C4     DYZ      RYD    0.000640
   29 *C4     DXX-YY   RYD    0.000989
   30 *C4     D3ZZ-RR  RYD    0.000863
   31 C2      S        MIN    1.998914
   32 C2      S        MIN    0.958789
   33 C2      S        RYD    0.001020
   34 C2      S        RYD    0.000080
   35 C2      PX       MIN    1.097863
   36 C2      PX       RYD    0.005595
   37 C2      PY       MIN    0.992423
   38 C2      PY       RYD    0.000731
   39 C2      PZ       MIN    1.176188
   40 C2      PZ       RYD    0.005001
   41 C2      DXY      RYD    0.000469
   42 C2      DXZ      RYD    0.001021
   43 C2      DYZ      RYD    0.000426
   44 C2      DXX-YY   RYD    0.000724
   45 C2      D3ZZ-RR  RYD    0.000951
   46 *C2     S        MIN    1.998914
   47 *C2     S        MIN    0.958789
   48 *C2     S        RYD    0.001020
   49 *C2     S        RYD    0.000080
   50 *C2     PX       MIN    1.097863
   51 *C2     PX       RYD    0.005595
   52 *C2     PY       MIN    0.992423
   53 *C2     PY       RYD    0.000731
   54 *C2     PZ       MIN    1.176188
   55 *C2     PZ       RYD    0.005001
   56 *C2     DXY      RYD    0.000469
   57 *C2     DXZ      RYD    0.001021
   58 *C2     DYZ      RYD    0.000426
   59 *C2     DXX-YY   RYD    0.000724
   60 *C2     D3ZZ-RR  RYD    0.000951
   61 *C3     S        MIN    1.999035
   62 *C3     S        MIN    0.954007
   63 *C3     S        RYD    0.000587
   64 *C3     S        RYD    0.000051
   65 *C3     PX       MIN    1.092366
   66 *C3     PX       RYD    0.005071
   67 *C3     PY       MIN    0.967835
   68 *C3     PY       RYD    0.000551
   69 *C3     PZ       MIN    1.167065
   70 *C3     PZ       RYD    0.004972
   71 *C3     DXY      RYD    0.000552
   72 *C3     DXZ      RYD    0.000990
   73 *C3     DYZ      RYD    0.000403
   74 *C3     DXX-YY   RYD    0.000663
   75 *C3     D3ZZ-RR  RYD    0.000831
   76 C3      S        MIN    1.999035
   77 C3      S        MIN    0.954007
   78 C3      S        RYD    0.000587
   79 C3      S        RYD    0.000051
   80 C3      PX       MIN    1.092366
   81 C3      PX       RYD    0.005071
   82 C3      PY       MIN    0.967835
   83 C3      PY       RYD    0.000551
   84 C3      PZ       MIN    1.167065
   85 C3      PZ       RYD    0.004972
   86 C3      DXY      RYD    0.000552
   87 C3      DXZ      RYD    0.000990
   88 C3      DYZ      RYD    0.000403
   89 C3      DXX-YY   RYD    0.000663
   90 C3      D3ZZ-RR  RYD    0.000831
   91 H2      S        MIN    0.738929
   92 H2      S        RYD    0.001051
   93 *H2     S        MIN    0.738929
   94 *H2     S        RYD    0.001051
   95 *H3     S        MIN    0.740707
   96 *H3     S        RYD    0.001418
   97 H3      S        MIN    0.740707
   98 H3      S        RYD    0.001418
   99 C7      S        MIN    1.999042
  100 C7      S        MIN    0.791835
  101 C7      S        RYD    0.004850
  102 C7      S        RYD    0.000345
  103 C7      PX       MIN    0.864854
  104 C7      PX       RYD    0.012869
  105 C7      PY       MIN    0.580150
  106 C7      PY       RYD    0.015544
  107 C7      PZ       MIN    0.564814
  108 C7      PZ       RYD    0.018203
  109 C7      DXY      RYD    0.002707
  110 C7      DXZ      RYD    0.002353
  111 C7      DYZ      RYD    0.003552
  112 C7      DXX-YY   RYD    0.003071
  113 C7      D3ZZ-RR  RYD    0.003389
  114 F1      S        MIN    1.999930
  115 F1      S        MIN    1.843653
  116 F1      S        RYD    0.000436
  117 F1      S        RYD    0.000036
  118 F1      PX       MIN    1.900370
  119 F1      PX       RYD    0.000333
  120 F1      PY       MIN    1.872326
  121 F1      PY       RYD    0.000129
  122 F1      PZ       MIN    1.739330
  123 F1      PZ       RYD    0.000132
  124 F1      DXY      RYD    0.000875
  125 F1      DXZ      RYD    0.001708
  126 F1      DYZ      RYD    0.001925
  127 F1      DXX-YY   RYD    0.000779
  128 F1      D3ZZ-RR  RYD    0.002110
  129 F2      S        MIN    1.999931
  130 F2      S        MIN    1.846455
  131 F2      S        RYD    0.000469
  132 F2      S        RYD    0.000028
  133 F2      PX       MIN    1.906995
  134 F2      PX       RYD    0.000380
  135 F2      PY       MIN    1.671428
  136 F2      PY       RYD    0.000122
  137 F2      PZ       MIN    1.928413
  138 F2      PZ       RYD    0.000120
  139 F2      DXY      RYD    0.002109
  140 F2      DXZ      RYD    0.000342
  141 F2      DYZ      RYD    0.001822
  142 F2      DXX-YY   RYD    0.002283
  143 F2      D3ZZ-RR  RYD    0.000845
  144 F3      S        MIN    1.999930
  145 F3      S        MIN    1.843653
  146 F3      S        RYD    0.000436
  147 F3      S        RYD    0.000036
  148 F3      PX       MIN    1.900370
  149 F3      PX       RYD    0.000333
  150 F3      PY       MIN    1.872326
  151 F3      PY       RYD    0.000129
  152 F3      PZ       MIN    1.739330
  153 F3      PZ       RYD    0.000132
  154 F3      DXY      RYD    0.000875
  155 F3      DXZ      RYD    0.001708
  156 F3      DYZ      RYD    0.001925
  157 F3      DXX-YY   RYD    0.000779
  158 F3      D3ZZ-RR  RYD    0.002110
  159 Br1     S        MIN    2.000000
  160 Br1     S        MIN    2.000000
  161 Br1     S        MIN    1.999814
  162 Br1     S        MIN    1.867998
  163 Br1     S        RYD    0.003166
  164 Br1     S        RYD    0.000010
  165 Br1     S        RYD    0.000000
  166 Br1     S        RYD    0.000000
  167 Br1     PX       MIN    1.999999
  168 Br1     PX       MIN    1.999860
  169 Br1     PX       MIN    1.134026
  170 Br1     PX       RYD    0.004342
  171 Br1     PY       MIN    2.000000
  172 Br1     PY       MIN    1.999990
  173 Br1     PY       MIN    1.934710
  174 Br1     PY       RYD    0.001077
  175 Br1     PZ       MIN    2.000000
  176 Br1     PZ       MIN    1.999989
  177 Br1     PZ       MIN    1.975386
  178 Br1     PZ       RYD    0.001172
  179 Br1     DXY      MIN    1.999950
  180 Br1     DXY      RYD    0.002313
  181 Br1     DXY      RYD    0.000004
  182 Br1     DXZ      MIN    1.999962
  183 Br1     DXZ      RYD    0.000937
  184 Br1     DXZ      RYD    0.000001
  185 Br1     DYZ      MIN    1.999996
  186 Br1     DYZ      RYD    0.000045
  187 Br1     DYZ      RYD    0.000000
  188 Br1     DXX-YY   MIN    1.999804
  189 Br1     DXX-YY   RYD    0.004305
  190 Br1     DXX-YY   RYD    0.000001
  191 Br1     D3ZZ-RR  MIN    1.999930
  192 Br1     D3ZZ-RR  RYD    0.001457
  193 Br1     D3ZZ-RR  RYD    0.000001

  Total MIN occupancy: 107.783940
  Total RYD occupancy:   0.216060
  Total occupancy:     108.000000


  Natural Atomic Populations and Charges

    Atom       Occupancy     Charge
   ------     -----------  -----------

   *C1         6.104717    -0.104717
   *C4         6.173013    -0.173013
   C2          6.240197    -0.240197
   *C2         6.240197    -0.240197
   *C3         6.194978    -0.194978
   C3          6.194978    -0.194978
   H2          0.739980     0.260020
   *H2         0.739980     0.260020
   *H3         0.742125     0.257875
   H3          0.742125     0.257875
   C7          4.867578     1.132422
   F1          9.364072    -0.364072
   F2          9.361742    -0.361742
   F3          9.364072    -0.364072
   Br1        34.930246     0.069754
  Total Charge =    0.00
  Fitted Dipole :  x  =   -3.3259,  y  =   -0.1022,  z  =    0.0000  =    3.3274 debye
   
Q-minus(NAO) =  -0.3641
Q-plus(NAO)  =   0.2600

   OCC. THRESH. = 1.90: ANTIBOND/RYDBERG OCCUPANCY =    3.6726
                          8 BD*/RY* ORBITALS > 0.1
   OCC. THRESH. = 1.80: ANTIBOND/RYDBERG OCCUPANCY =    3.6726
                          8 BD*/RY* ORBITALS > 0.1
   OCC. THRESH. = 1.70: ANTIBOND/RYDBERG OCCUPANCY =    3.6726
                          8 BD*/RY* ORBITALS > 0.1
   OCC. THRESH. = 1.60: ANTIBOND/RYDBERG OCCUPANCY =    2.4536
                          7 BD*/RY* ORBITALS > 0.1
   OCC. THRESH. = 1.50: ANTIBOND/RYDBERG OCCUPANCY =    2.4536
                          7 BD*/RY* ORBITALS > 0.1

  Strongly delocalized structure - no single Lewis structure exists.
  Calculations continue with best guess structure.

  *** RETURN TO THRESH = 1.60 ON ITER =  5 ***
  Problem detected with Bond Order Calculation (NBO)
  ...Calculation will continue with "bad" lewis structure
  

  Natural Bond Orbital Analysis

  Total core, lone pair and bond occupancy: 105.5464 ( 97.73%)
  Total Rydberg and antibond occupancy:       2.4536

           Bond        Polarization
 Occupancy type  Atom  coefficient              Hybridization                 
 --------- ----  ----  ------------  ----------------------------------

   1.9990   LP   *C3      1.0000  s(100.0%)

   1.9990   LP   C3       1.0000  s(100.0%)

   1.9991   LP   C7       1.0000  s(100.0%)

   1.9999   LP   F1       1.0000  s(100.0%)

   1.9999   LP   F2       1.0000  s(100.0%)

   1.9999   LP   F3       1.0000  s(100.0%)

   2.0000   LP   Br1      1.0000  s(100.0%)

   2.0000   LP   Br1      1.0000  s(100.0%)

   1.9998   LP   Br1      1.0000  s(100.0%)

   2.0000   LP   Br1      1.0000  s(  0.0%)p 1.00(100.0%)

   1.9999   LP   Br1      1.0000  s(  0.0%)p 1.00(100.0%)

   2.0000   LP   Br1      1.0000  s(  0.0%)p 1.00(100.0%)

   2.0000   LP   Br1      1.0000  s(  0.0%)p 1.00(100.0%)

   2.0000   LP   Br1      1.0000  s(  0.0%)p 1.00(100.0%)

   2.0000   LP   Br1      1.0000  s(  0.0%)p 1.00(100.0%)

   1.9999   LP   Br1      1.0000  s(  0.0%)p 0.00(  0.0%)d 1.00(100.0%)

   2.0000   LP   Br1      1.0000  s(  0.0%)p 0.00(  0.0%)d 1.00(100.0%)

   2.0000   LP   Br1      1.0000  s(  0.0%)p 0.00(  0.0%)d 1.00(100.0%)

   1.9998   LP   Br1      1.0000  s(  0.0%)p 0.00(  0.0%)d 1.00(100.0%)

   1.9999   LP   Br1      1.0000  s(  0.0%)p 0.00(  0.0%)d 1.00(100.0%)

   1.9991   LP   *C1      1.0000  s( 99.9%)

   1.9989   LP   *C4      1.0000  s(100.0%)

   1.9990   LP   C2       1.0000  s(100.0%)

   1.9990   LP   *C2      1.0000  s(100.0%)

   1.9872   LP   F1       1.0000  s( 70.8%)p 0.41( 29.1%)

   1.9491   LP   F1       1.0000  s(  0.0%)p 1.00( 99.9%)

   1.9313   LP   F1       1.0000  s(  0.0%)p 1.00( 99.9%)

   1.9875   LP   F2       1.0000  s( 71.3%)p 0.40( 28.7%)

   1.9474   LP   F2       1.0000  s(  0.1%)p 1.00( 99.8%)

   1.9304   LP   F2       1.0000  s(  0.0%)p 1.00( 99.9%)

   1.9872   LP   F3       1.0000  s( 70.8%)p 0.41( 29.1%)

   1.9491   LP   F3       1.0000  s(  0.0%)p 1.00( 99.9%)

   1.9313   LP   F3       1.0000  s(  0.0%)p 1.00( 99.9%)

   1.9950   LP   Br1      1.0000  s( 87.0%)p 0.15( 13.0%)

   1.9762   LP   Br1      1.0000  s(  0.0%)p 1.00(100.0%)

   1.9358   LP   Br1      1.0000  s(  0.0%)p 1.00(100.0%)

   1.9822   BD   *C1      0.7124  s( 39.2%)p 1.55( 60.7%)
                 C2       0.7018  s( 34.4%)p 1.90( 65.5%)

   1.6682   BD   *C1      0.7235  s(  0.0%)p 1.00(100.0%)
                 C2       0.6903  s(  0.0%)p 1.00(100.0%)

   1.9822   BD   *C1      0.7124  s( 39.2%)p 1.55( 60.7%)
                 *C2      0.7018  s( 34.4%)p 1.90( 65.5%)

   1.9857   BD   *C1      0.7032  s( 21.6%)p 3.63( 78.3%)
                 Br1      0.7110  s( 13.3%)p 6.50( 86.2%)

   1.9741   BD   *C4      0.7156  s( 35.5%)p 1.82( 64.5%)
                 *C3      0.6985  s( 34.6%)p 1.89( 65.3%)

   1.6592   BD   *C4      0.7304  s(  0.0%)p 1.00(100.0%)
                 *C3      0.6830  s(  0.0%)p 1.00(100.0%)

   1.9741   BD   *C4      0.7156  s( 35.5%)p 1.82( 64.5%)
                 C3       0.6985  s( 34.6%)p 1.89( 65.3%)

   1.9852   BD   *C4      0.7211  s( 29.0%)p 2.44( 70.9%)
                 C7       0.6928  s( 35.8%)p 1.79( 64.1%)

   1.9707   BD   C2       0.7078  s( 35.2%)p 1.84( 64.7%)
                 C3       0.7064  s( 35.4%)p 1.82( 64.5%)

   1.9806   BD   C2       0.7942  s( 30.3%)p 2.30( 69.6%)
                 H2       0.6076  s(100.0%)

   1.9707   BD   *C2      0.7078  s( 35.2%)p 1.84( 64.7%)
                 *C3      0.7064  s( 35.4%)p 1.82( 64.5%)

   1.9806   BD   *C2      0.7942  s( 30.3%)p 2.30( 69.6%)
                 *H2      0.6076  s(100.0%)

   1.9799   BD   *C3      0.7936  s( 29.9%)p 2.34( 70.0%)
                 *H3      0.6084  s(100.0%)

   1.9799   BD   C3       0.7936  s( 29.9%)p 2.34( 70.0%)
                 H3       0.6084  s(100.0%)

   1.9937   BD   C7       0.5136  s( 21.4%)p 3.66( 78.3%)
                 F1       0.8580  s( 29.1%)p 2.43( 70.7%)

   1.9926   BD   C7       0.5146  s( 21.4%)p 3.67( 78.3%)
                 F2       0.8574  s( 28.6%)p 2.49( 71.2%)

   1.9937   BD   C7       0.5136  s( 21.4%)p 3.66( 78.3%)
                 F3       0.8580  s( 29.1%)p 2.43( 70.7%)

   0.0077   RYD  *C1      1.0000  s(  0.0%)p 1.00( 97.6%)

   0.0065   RYD  *C1      1.0000  s(  0.6%)p 1.00( 93.1%)

   0.0019   RYD  *C1      1.0000  s(  0.0%)p 1.00( 59.7%)d 0.67( 40.3%)

   0.0008   RYD  *C1      1.0000  s(  0.0%)p 0.00(  0.2%)d 1.00( 99.8%)

   0.0004   RYD  *C1      1.0000  s( 81.7%)p 0.03(  2.8%)d 0.19( 15.5%)

   0.0004   RYD  *C1      1.0000  s(  0.0%)p 0.00(  2.4%)d 1.00( 97.6%)

   0.0002   RYD  *C1      1.0000  s( 17.9%)p 0.24(  4.2%)d 4.34( 77.8%)

   0.0000   RYD  *C1      1.0000  s( 93.8%)

   0.0000   RYD  *C1      1.0000  s(  0.0%)p 1.00( 40.0%)d 1.50( 59.9%)

   0.0000   RYD  *C1      1.0000  s(  6.0%)p 0.00(  0.0%)d 1.00( 94.0%)

   0.0054   RYD  *C4      1.0000  s(  2.6%)p 1.00( 91.4%)

   0.0040   RYD  *C4      1.0000  s(  0.0%)p 1.00( 99.8%)

   0.0019   RYD  *C4      1.0000  s(  2.2%)p 1.00( 97.0%)

   0.0007   RYD  *C4      1.0000  s(  0.4%)p 0.00(  0.1%)d 1.00( 99.5%)

   0.0006   RYD  *C4      1.0000  s( 93.6%)

   0.0004   RYD  *C4      1.0000  s(  0.2%)p 0.00(  0.7%)d 1.00( 99.1%)

   0.0003   RYD  *C4      1.0000  s(  0.0%)p 0.00(  0.2%)d 1.00( 99.8%)

   0.0002   RYD  *C4      1.0000  s( 11.0%)p 0.50(  5.5%)d 7.55( 83.4%)

   0.0001   RYD  *C4      1.0000  s( 88.7%)p 0.00(  0.4%)d 0.12( 11.0%)

   0.0000   RYD  *C4      1.0000  s(  1.5%)p 0.00(  0.6%)d 1.00( 98.0%)

   0.0051   RYD  C2       1.0000  s(  0.0%)p 1.00( 95.0%)

   0.0032   RYD  C2       1.0000  s(  0.2%)p 1.00( 98.3%)

   0.0009   RYD  C2       1.0000  s(  0.0%)p 1.00( 64.5%)d 0.55( 35.5%)

   0.0006   RYD  C2       1.0000  s( 88.4%)p 0.01(  0.5%)d 0.13( 11.2%)

   0.0004   RYD  C2       1.0000  s(  0.1%)p 1.00( 32.7%)d 2.06( 67.3%)

   0.0001   RYD  C2       1.0000  s(  8.1%)p 0.00(  1.2%)d 1.00( 90.8%)

   0.0001   RYD  C2       1.0000  s( 98.6%)

   0.0000   RYD  C2       1.0000  s(  0.0%)p 0.00(  2.8%)d 1.00( 97.2%)

   0.0000   RYD  C2       1.0000  s(  2.8%)p 0.00(  1.1%)d 1.00( 96.1%)

   0.0000   RYD  C2       1.0000  s(  1.8%)p 0.00(  4.2%)d 1.00( 94.0%)

   0.9929   LP   *C2      1.0000  s(  0.0%)p 1.00(100.0%)

   0.0051   RYD  *C2      1.0000  s(  0.0%)p 1.00( 95.0%)

   0.0032   RYD  *C2      1.0000  s(  0.2%)p 1.00( 98.3%)

   0.0007   RYD  *C2      1.0000  s(  0.1%)p 1.00( 74.0%)d 0.35( 25.9%)

   0.0006   RYD  *C2      1.0000  s( 88.3%)p 0.01(  0.5%)d 0.13( 11.2%)

   0.0004   RYD  *C2      1.0000  s(  0.1%)p 1.00( 23.1%)d 3.33( 76.8%)

   0.0001   RYD  *C2      1.0000  s(  8.1%)p 0.00(  1.2%)d 1.00( 90.8%)

   0.0001   RYD  *C2      1.0000  s( 98.6%)

   0.0000   RYD  *C2      1.0000  s(  0.0%)p 0.00(  2.8%)d 1.00( 97.2%)

   0.0000   RYD  *C2      1.0000  s(  3.8%)p 0.00(  5.2%)d 1.00( 90.9%)

   0.0000   RYD  *C2      1.0000  s(  0.8%)p 0.00(  0.0%)d 1.00( 99.2%)

   0.0054   RYD  *C3      1.0000  s(  0.0%)p 1.00( 96.2%)

   0.0032   RYD  *C3      1.0000  s(  0.3%)p 1.00( 97.8%)

   0.0008   RYD  *C3      1.0000  s(  0.0%)p 1.00( 27.5%)d 2.63( 72.5%)

   0.0005   RYD  *C3      1.0000  s(  0.7%)p 1.00( 65.1%)d 0.53( 34.3%)

   0.0003   RYD  *C3      1.0000  s( 92.8%)

   0.0001   RYD  *C3      1.0000  s(  2.7%)p 0.00(  1.3%)d 1.00( 96.0%)

   0.0001   RYD  *C3      1.0000  s( 25.5%)p 0.14(  3.5%)d 2.78( 71.0%)

   0.0000   RYD  *C3      1.0000  s( 70.3%)p 0.02(  1.1%)d 0.41( 28.6%)

   0.0000   RYD  *C3      1.0000  s(  7.7%)p 0.00(  0.1%)d 1.00( 92.2%)

   0.0000   RYD  *C3      1.0000  s(  0.2%)p 0.00(  6.6%)d 1.00( 93.2%)

   0.9682   LP   C3       1.0000  s(  0.0%)p 1.00(100.0%)

   0.0054   RYD  C3       1.0000  s(  0.0%)p 1.00( 96.2%)

   0.0032   RYD  C3       1.0000  s(  0.3%)p 1.00( 97.8%)

   0.0007   RYD  C3       1.0000  s(  0.1%)p 1.00( 38.3%)d 1.61( 61.6%)

   0.0005   RYD  C3       1.0000  s(  0.6%)p 1.00( 54.2%)d 0.83( 45.2%)

   0.0003   RYD  C3       1.0000  s( 92.8%)

   0.0001   RYD  C3       1.0000  s(  2.7%)p 0.00(  1.3%)d 1.00( 96.0%)

   0.0001   RYD  C3       1.0000  s( 25.5%)p 0.14(  3.5%)d 2.79( 71.0%)

   0.0000   RYD  C3       1.0000  s( 70.3%)p 0.02(  1.1%)d 0.41( 28.6%)

   0.0000   RYD  C3       1.0000  s(  7.7%)p 0.00(  0.1%)d 1.00( 92.2%)

   0.0000   RYD  C3       1.0000  s(  0.2%)p 0.00(  6.6%)d 1.00( 93.2%)

   0.0011   RYD  H2       1.0000  s(100.0%)

   0.0011   RYD  *H2      1.0000  s(100.0%)

   0.0014   RYD  *H3      1.0000  s(100.0%)

   0.0014   RYD  H3       1.0000  s(100.0%)

   0.0199   RYD  C7       1.0000  s(  0.0%)p 1.00( 94.1%)

   0.0181   RYD  C7       1.0000  s(  0.0%)p 1.00( 90.2%)

   0.0155   RYD  C7       1.0000  s( 10.9%)p 7.44( 81.3%)

   0.0038   RYD  C7       1.0000  s( 66.7%)p 0.02(  1.5%)d 0.48( 31.8%)

   0.0028   RYD  C7       1.0000  s(  0.0%)p 0.00(  6.2%)d 1.00( 93.8%)

   0.0025   RYD  C7       1.0000  s(  0.0%)p 0.00(  4.6%)d 1.00( 95.4%)

   0.0023   RYD  C7       1.0000  s(  0.0%)p 0.00(  5.7%)d 1.00( 94.3%)

   0.0019   RYD  C7       1.0000  s(  0.0%)p 0.00(  0.2%)d 1.00( 99.8%)

   0.0003   RYD  C7       1.0000  s( 23.5%)p 0.73( 17.1%)d 2.53( 59.4%)

   0.0001   RYD  C7       1.0000  s( 98.9%)

   0.0007   RYD  F1       1.0000  s( 60.4%)p 0.62( 37.2%)

   0.0003   RYD  F1       1.0000  s(  7.8%)p 1.00( 61.8%)d 0.49( 30.4%)

   0.0002   RYD  F1       1.0000  s(  2.0%)p 1.00( 54.4%)d 0.80( 43.6%)

   0.0001   RYD  F1       1.0000  s(  3.4%)p 1.00( 13.2%)d 6.33( 83.4%)

   0.0001   RYD  F1       1.0000  s(  2.9%)p 1.00( 21.7%)d 3.48( 75.5%)

   0.0000   RYD  F1       1.0000  s(  1.0%)p 1.00( 11.8%)d 7.42( 87.2%)

   0.0000   RYD  F1       1.0000  s(  0.9%)p 1.00( 15.9%)d 5.24( 83.2%)

   0.0000   RYD  F1       1.0000  s(  0.0%)p 0.00(  6.4%)d 1.00( 93.6%)

   0.0000   RYD  F1       1.0000  s( 99.3%)

   0.0000   RYD  F1       1.0000  s( 22.4%)p 3.47( 77.6%)

   0.0007   RYD  F2       1.0000  s( 60.0%)p 0.64( 38.5%)

   0.0003   RYD  F2       1.0000  s( 14.0%)p 4.80( 67.2%)d 1.34( 18.8%)

   0.0002   RYD  F2       1.0000  s(  0.0%)p 1.00( 52.6%)d 0.90( 47.4%)

   0.0001   RYD  F2       1.0000  s(  2.1%)p 1.00( 13.2%)d 6.39( 84.6%)

   0.0001   RYD  F2       1.0000  s(  0.0%)p 1.00( 25.2%)d 2.96( 74.8%)

   0.0000   RYD  F2       1.0000  s( 12.0%)p 0.46(  5.5%)d 6.90( 82.6%)

   0.0000   RYD  F2       1.0000  s(  0.0%)p 1.00( 22.2%)d 3.50( 77.8%)

   0.0000   RYD  F2       1.0000  s( 87.8%)p 0.01(  0.6%)d 0.13( 11.7%)

   0.0000   RYD  F2       1.0000  s(  1.1%)p 0.00(  0.6%)d 1.00( 98.3%)

   0.0000   RYD  F2       1.0000  s( 23.1%)p 3.24( 74.7%)

   0.0007   RYD  F3       1.0000  s( 60.4%)p 0.62( 37.2%)

   0.0003   RYD  F3       1.0000  s(  7.8%)p 1.00( 61.8%)d 0.49( 30.4%)

   0.0002   RYD  F3       1.0000  s(  2.0%)p 1.00( 54.4%)d 0.80( 43.6%)

   0.0001   RYD  F3       1.0000  s(  3.4%)p 1.00( 13.2%)d 6.33( 83.4%)

   0.0001   RYD  F3       1.0000  s(  2.9%)p 1.00( 21.7%)d 3.48( 75.5%)

   0.0000   RYD  F3       1.0000  s(  1.0%)p 1.00( 11.8%)d 7.42( 87.2%)

   0.0000   RYD  F3       1.0000  s(  0.9%)p 1.00( 15.9%)d 5.24( 83.2%)

   0.0000   RYD  F3       1.0000  s(  0.0%)p 0.00(  6.4%)d 1.00( 93.6%)

   0.0000   RYD  F3       1.0000  s( 99.3%)

   0.0000   RYD  F3       1.0000  s( 22.4%)p 3.47( 77.6%)

   0.0024   RYD  Br1      1.0000  s(  0.0%)p 1.00( 23.5%)d 3.26( 76.5%)

   0.0012   RYD  Br1      1.0000  s(  0.0%)p 1.00( 48.0%)d 1.08( 52.0%)

   0.0006   RYD  Br1      1.0000  s( 10.1%)p 6.42( 64.8%)d 2.48( 25.1%)

   0.0000   RYD  Br1      1.0000  s(  0.0%)p 0.00(  0.0%)d 1.00(100.0%)

   0.0001   RYD  Br1      1.0000  s( 11.3%)p 0.93( 10.5%)d 6.89( 78.2%)

   0.0000   RYD  Br1      1.0000  s( 41.9%)p 0.12(  5.2%)d 1.26( 52.9%)

   0.0000   RYD  Br1      1.0000  s(  0.0%)p 1.00( 51.2%)d 0.95( 48.8%)

   0.0000   RYD  Br1      1.0000  s(  0.0%)p 1.00( 75.6%)d 0.32( 24.4%)

   0.0000   RYD  Br1      1.0000  s(  0.0%)p 0.00(  1.0%)d 1.00( 99.0%)

   0.0000   RYD  Br1      1.0000  s( 99.9%)

   0.0000   RYD  Br1      1.0000  s(  0.0%)p 0.00(  0.8%)d 1.00( 99.2%)

   0.0000   RYD  Br1      1.0000  s( 41.3%)p 0.48( 19.9%)d 0.94( 38.8%)

   0.0000   RYD  Br1      1.0000  s(  0.0%)p 0.00(  0.0%)d 1.00(100.0%)

   0.0000   RYD  Br1      1.0000  s( 95.3%)

   0.0000   RYD  Br1      1.0000  s(  0.0%)p 0.00(  0.1%)d 1.00( 99.9%)

   0.0000   RYD  Br1      1.0000  s(100.0%)

   0.0000   RYD  Br1      1.0000  s(  0.0%)p 0.00(  0.1%)d 1.00( 99.9%)

   0.0247   BD*  *C1      0.7018  s( 39.2%)p 1.55( 60.7%)
                 C2      -0.7124  s( 34.4%)p 1.90( 65.5%)

   0.3778   BD*  *C1      0.6903  s(  0.0%)p 1.00(100.0%)
                 C2      -0.7235  s(  0.0%)p 1.00(100.0%)

   0.0247   BD*  *C1      0.7018  s( 39.2%)p 1.55( 60.7%)
                 *C2     -0.7124  s( 34.4%)p 1.90( 65.5%)

   0.0321   BD*  *C1      0.7110  s( 21.6%)p 3.63( 78.3%)
                 Br1     -0.7032  s( 13.3%)p 6.50( 86.2%)

   0.0221   BD*  *C4      0.6985  s( 35.5%)p 1.82( 64.5%)
                 *C3     -0.7156  s( 34.6%)p 1.89( 65.3%)

   0.3637   BD*  *C4      0.6830  s(  0.0%)p 1.00(100.0%)
                 *C3     -0.7304  s(  0.0%)p 1.00(100.0%)

   0.0221   BD*  *C4      0.6985  s( 35.5%)p 1.82( 64.5%)
                 C3      -0.7156  s( 34.6%)p 1.89( 65.3%)

   0.0619   BD*  *C4      0.6928  s( 29.0%)p 2.44( 70.9%)
                 C7      -0.7211  s( 35.8%)p 1.79( 64.1%)

   0.0161   BD*  C2       0.7064  s( 35.2%)p 1.84( 64.7%)
                 C3      -0.7078  s( 35.4%)p 1.82( 64.5%)

   0.0121   BD*  C2       0.6076  s( 30.3%)p 2.30( 69.6%)
                 H2      -0.7942  s(100.0%)

   0.0161   BD*  *C2      0.7064  s( 35.2%)p 1.84( 64.7%)
                 *C3     -0.7078  s( 35.4%)p 1.82( 64.5%)

   0.0121   BD*  *C2      0.6076  s( 30.3%)p 2.30( 69.6%)
                 *H2     -0.7942  s(100.0%)

   0.0123   BD*  *C3      0.6084  s( 29.9%)p 2.34( 70.0%)
                 *H3     -0.7936  s(100.0%)

   0.0123   BD*  C3       0.6084  s( 29.9%)p 2.34( 70.0%)
                 H3      -0.7936  s(100.0%)

   0.1036   BD*  C7       0.8580  s( 21.4%)p 3.66( 78.3%)
                 F1      -0.5136  s( 29.1%)p 2.43( 70.7%)

   0.1142   BD*  C7       0.8574  s( 21.4%)p 3.67( 78.3%)
                 F2      -0.5146  s( 28.6%)p 2.49( 71.2%)

   0.1036   BD*  C7       0.8580  s( 21.4%)p 3.66( 78.3%)
                 F3      -0.5136  s( 29.1%)p 2.43( 70.7%)
     *C1      C2       :    1.825      1.3945 [double]
     *C1      *C2      :    0.991      1.3945 [single]
     *C1      Br1      :    0.993      1.9165 [single]
     *C4      *C3      :    1.817      1.3969 [double]
     *C4      C3       :    0.987      1.3969 [single]
     *C4      C7       :    0.993      1.5050 [single]
     C2       C3       :    0.985      1.3938 [single]
     C2       H2       :    0.990      1.0842 [sing-H]
     *C2      *C3      :    0.985      1.3938 [single]
     *C2      *H2      :    0.990      1.0842 [sing-H]
     *C3      *H3      :    0.990      1.0849 [sing-H]
     C3       H3       :    0.990      1.0849 [sing-H]
     C7       F1       :    0.997      1.3512 [single]
     C7       F2       :    0.996      1.3534 [single]
     C7       F3       :    0.997      1.3512 [single]
  Using    3109 Points
  
   Electrostatic Charges From Point Model  2
  
  Ignoring  50 nearly linearly dependent terms. (<.10E-04)
  CHELP-SVD2 charge error is  0.01970

    Atom          Charge
   ------      -------------

    1 *C1     
      ... Q0 :  -0.163538
      ... Qx :  -1.851396
      ... Qy :   0.016292
      ... Qz :  -0.016028
      ... Qxx:   1.583762
      ... Qyy:  -1.997099
      ... Qzz:   0.413337
      ... Qxy:  -0.023437
      ... Qxz:  -0.001069
      ... Qyz:   0.060847
   11 *C4     
      ... Q0 :  -0.307790
      ... Qx :   1.468323
      ... Qy :   0.065515
      ... Qz :  -0.007300
      ... Qxx:   0.344085
      ... Qyy:  -0.475027
      ... Qzz:   0.130942
      ... Qxy:  -0.023749
      ... Qxz:  -0.002051
      ... Qyz:  -0.082442
   21 C2      
      ... Q0 :   0.178586
      ... Qx :   1.411544
      ... Qy :   0.002053
      ... Qz :   1.267567
      ... Qxx:   0.516127
      ... Qyy:  -1.499046
      ... Qzz:   0.982919
      ... Qxy:  -0.062188
      ... Qxz:   0.076552
      ... Qyz:  -0.047541
   31 *C2     
      ... Q0 :   0.178551
      ... Qx :   1.408304
      ... Qy :   0.006266
      ... Qz :  -1.286343
      ... Qxx:   0.519581
      ... Qyy:  -1.489739
      ... Qzz:   0.970158
      ... Qxy:  -0.008215
      ... Qxz:  -0.081349
      ... Qyz:   0.000064
   41 *C3     
      ... Q0 :  -0.226184
      ... Qx :   0.264106
      ... Qy :  -0.047609
      ... Qz :  -0.801573
      ... Qxx:   0.279018
      ... Qyy:  -0.824322
      ... Qzz:   0.545304
      ... Qxy:   0.063086
      ... Qxz:   0.040624
      ... Qyz:   0.033288
   51 C3      
      ... Q0 :  -0.228808
      ... Qx :   0.273758
      ... Qy :  -0.052234
      ... Qz :   0.818753
      ... Qxx:   0.263270
      ... Qyy:  -0.813509
      ... Qzz:   0.550239
      ... Qxy:  -0.036747
      ... Qxz:  -0.033769
      ... Qyz:   0.041040
   61 H2         0.190658   
   62 *H2        0.192048   
   63 *H3        0.187609   
   64 H3         0.188731   
   65 C7      
      ... Q0 :   1.313248
      ... Qx :   0.646083
      ... Qy :   0.141190
      ... Qz :  -0.049458
      ... Qxx:   0.158304
      ... Qyy:  -0.073952
      ... Qzz:  -0.084352
      ... Qxy:   0.000739
      ... Qxz:  -0.004590
      ... Qyz:  -0.027778
   75 F1      
      ... Q0 :  -0.463736
      ... Qx :   0.424394
      ... Qy :  -0.319386
      ... Qz :  -0.475098
      ... Qxx:  -0.247750
      ... Qyy:   0.133772
      ... Qzz:   0.113979
      ... Qxy:   0.095114
      ... Qxz:   0.047052
      ... Qyz:  -0.009976
   85 F2      
      ... Q0 :  -0.481187
      ... Qx :   0.318474
      ... Qy :   0.685491
      ... Qz :   0.008669
      ... Qxx:  -0.086026
      ... Qyy:  -0.038164
      ... Qzz:   0.124190
      ... Qxy:  -0.022439
      ... Qxz:  -0.004279
      ... Qyz:  -0.009291
   95 F3      
      ... Q0 :  -0.447727
      ... Qx :   0.388831
      ... Qy :  -0.282775
      ... Qz :   0.436155
      ... Qxx:  -0.240775
      ... Qyy:   0.121889
      ... Qzz:   0.118886
      ... Qxy:   0.064528
      ... Qxz:  -0.006250
      ... Qyz:  -0.041871
  105 Br1     
      ... Q0 :  -0.110462
      ... Qx :   0.288697
      ... Qy :  -0.006979
      ... Qz :   0.003238
      ... Qxx:   4.913063
      ... Qyy:  -2.410696
      ... Qzz:  -2.502367
      ... Qxy:  -0.081163
      ... Qxz:   0.009367
      ... Qyz:  -0.011689

  RMS fit:    2.518255
 %RMS fit:  503.441352

  Total Charge =    0.00
  Fitted Dipole :  x  =   -1.3967,  y  =   -0.0902,  z  =    0.0003  =    1.3996 debye
   
  
  Atomic Electrostatic Charges (ESP)
  
  Condition number of inverse is .34E-02
  CHELP-SVD2 charge error is  0.01916

    Atom          Charge
   ------      -------------

    1 *C1       -0.092543   
    2 *C4        0.129741   
    3 C2         0.014702   
    4 *C2        0.014702   
    5 *C3       -0.222809   
    6 C3        -0.222809   
    7 H2         0.100234   
    8 *H2        0.100234   
    9 *H3        0.156244   
   10 H3         0.156244   
   11 C7         0.338488   
   12 F1        -0.143543   
   13 F2        -0.149067   
   14 F3        -0.143543   
   15 Br1       -0.036274   

  RMS fit:    4.372352
 %RMS fit:  420.354455

  Total Charge =    0.00
  Fitted Dipole :  x  =   -1.2761,  y  =   -0.1164,  z  =    0.0000  =    1.2814 debye
   
 Atomic Charges:
                Electrostatic Mulliken  Natural 
   1 *C1      :     -0.093     +0.018   -0.105 
   2 *C4      :     +0.130     -0.008   -0.173 
   3 C2       :     +0.015     -0.149   -0.240 
   4 *C2      :     +0.015     -0.149   -0.240 
   5 *C3      :     -0.223     -0.153   -0.195 
   6 C3       :     -0.223     -0.153   -0.195 
   7 H2       :     +0.100     +0.168   +0.260 
   8 *H2      :     +0.100     +0.168   +0.260 
   9 *H3      :     +0.156     +0.165   +0.258 
  10 H3       :     +0.156     +0.165   +0.258 
  11 C7       :     +0.338     +0.786   +1.132 
  12 F1       :     -0.144     -0.269   -0.364 
  13 F2       :     -0.149     -0.259   -0.362 
  14 F3       :     -0.144     -0.269   -0.364 
  15 Br1      :     -0.036     -0.062   +0.070 

 Bond Orders              Mulliken  Natural 
   1 *C1      *C4      :    0.085    ---  
   2 *C1      C2       :    1.412    1.825
   3 *C1      *C2      :    1.412    0.991
   4 *C1      Br1      :    0.978    0.993
   5 *C4      *C3      :    1.414    1.817
   6 *C4      C3       :    1.414    0.987
   7 *C4      C7       :    0.973    0.993
   8 C2       *C3      :    0.092    ---  
   9 C2       C3       :    1.425    0.985
  10 C2       H2       :    0.920    0.990
  11 C2       Br1      :    0.027    ---  
  12 *C2      *C3      :    1.425    0.985
  13 *C2      C3       :    0.092    ---  
  14 *C2      *H2      :    0.920    0.990
  15 *C2      Br1      :    0.027    ---  
  16 *C3      *H3      :    0.916    0.990
  17 C3       H3       :    0.916    0.990
  18 C7       F1       :    1.003    0.997
  19 C7       F2       :    1.035    0.996
  20 C7       F3       :    1.003    0.997


  Normal Modes and Vibrational Frequencies (cm-1)


                    23.93                  70.74                 146.35
                     A"                     A'                     A" 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.000  0.000 -0.003   -0.001  0.063  0.000    0.000  0.000 -0.065
 *C4        0.000  0.000 -0.009   -0.001  0.077  0.000    0.000  0.000 -0.082
 C2        -0.004 -0.092 -0.004   -0.001  0.084  0.000   -0.009  0.006 -0.073
 *C2        0.004  0.091 -0.004   -0.001  0.085  0.000    0.009 -0.006 -0.073
 *C3        0.003  0.090 -0.007   -0.001  0.090  0.000    0.003 -0.006 -0.081
 C3        -0.003 -0.090 -0.007   -0.001  0.090  0.000   -0.003  0.006 -0.081
 H2        -0.006 -0.162 -0.002   -0.001  0.078  0.000   -0.014  0.010 -0.070
 *H2        0.006  0.162 -0.002   -0.001  0.078  0.000    0.014 -0.010 -0.070
 *H3        0.006  0.159 -0.007   -0.002  0.087  0.000    0.007 -0.010 -0.085
 H3        -0.006 -0.159 -0.007   -0.002  0.087  0.000   -0.007  0.010 -0.085
 C7         0.000  0.000 -0.002    0.002 -0.009  0.000    0.000  0.000 -0.002
 F1         0.008  0.080 -0.042   -0.039 -0.046  0.000    0.090 -0.007  0.048
 F2         0.000  0.000  0.099    0.091 -0.042  0.000    0.000  0.000  0.033
 F3        -0.008 -0.080 -0.042   -0.039 -0.046  0.000   -0.090  0.007  0.048
 Br1        0.000  0.000  0.002   -0.003 -0.044  0.000    0.000  0.000  0.042


                   199.15                 222.80                 271.42
                     A'                     A'                     A" 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.010  0.110  0.000   -0.023  0.031  0.000    0.000  0.000  0.117
 *C4       -0.009 -0.088  0.000    0.043 -0.028  0.000    0.000  0.000 -0.044
 C2         0.004  0.096 -0.003    0.005  0.024  0.011   -0.054  0.002  0.091
 *C2        0.004  0.096  0.003    0.005  0.024 -0.011    0.054 -0.002  0.091
 *C3        0.000 -0.009  0.003    0.015 -0.008 -0.011    0.058 -0.003 -0.006
 C3         0.000 -0.009 -0.003    0.015 -0.008  0.011   -0.058  0.003 -0.006
 H2        -0.001  0.133  0.000    0.023  0.034  0.000   -0.114  0.003  0.126
 *H2       -0.001  0.133  0.000    0.023  0.034  0.000    0.114 -0.003  0.126
 *H3        0.005 -0.026  0.000   -0.002 -0.014 -0.001    0.116 -0.006 -0.040
 H3         0.005 -0.026  0.000   -0.002 -0.014  0.001   -0.116  0.006 -0.040
 C7        -0.018 -0.049  0.000    0.067 -0.013  0.000    0.000  0.000 -0.038
 F1         0.031 -0.011  0.003    0.097  0.002  0.005    0.086  0.007  0.001
 F2        -0.139 -0.005  0.000    0.046 -0.005  0.000    0.000  0.000 -0.017
 F3         0.031 -0.011 -0.003    0.097  0.002 -0.005   -0.086 -0.007  0.001
 Br1        0.020 -0.019  0.000   -0.076 -0.004  0.000    0.000  0.000 -0.029


                   376.93                 403.57                 417.38
                     A'                     A"                     A" 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1       -0.004  0.133  0.000    0.000  0.000  0.036    0.000  0.000 -0.009
 *C4       -0.005 -0.052  0.000    0.000  0.000 -0.077    0.000  0.000  0.020
 C2        -0.007  0.024  0.000   -0.045  0.031  0.008    0.013  0.118 -0.001
 *C2       -0.007  0.024  0.000    0.045 -0.031  0.008   -0.013 -0.118 -0.001
 *C3       -0.009 -0.108  0.000    0.043  0.030 -0.068   -0.010  0.120  0.018
 C3        -0.010 -0.108  0.000   -0.043 -0.030 -0.068    0.010 -0.120  0.018
 H2        -0.009  0.004  0.001   -0.096  0.066  0.038    0.027  0.250 -0.009
 *H2       -0.009  0.004 -0.001    0.096 -0.066  0.038   -0.027 -0.250 -0.009
 *H3       -0.012 -0.190  0.000    0.094  0.063 -0.098   -0.022  0.254  0.027
 H3        -0.012 -0.190  0.000   -0.095 -0.062 -0.098    0.022 -0.254  0.027
 C7        -0.003  0.025  0.000    0.000  0.000  0.012    0.000  0.000 -0.006
 F1        -0.041  0.050 -0.033   -0.080 -0.058  0.012    0.022  0.013 -0.004
 F2         0.095 -0.008  0.000    0.000  0.000  0.104    0.000  0.000 -0.024
 F3        -0.041  0.050  0.033    0.080  0.058  0.012   -0.022 -0.013 -0.004
 Br1        0.004 -0.008  0.000    0.000  0.000 -0.006    0.000  0.000  0.002


                   435.58                 492.28                 574.28
                     A'                     A'                     A" 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1       -0.079 -0.005  0.000   -0.004 -0.120  0.000    0.000  0.000  0.021
 *C4       -0.056  0.002  0.000    0.001 -0.109  0.000    0.000  0.000 -0.038
 C2        -0.099  0.001  0.001   -0.002  0.033  0.000   -0.017  0.002  0.004
 *C2       -0.099  0.001 -0.001   -0.002  0.032  0.000    0.017 -0.002  0.004
 *C3       -0.098  0.006 -0.007   -0.002  0.033 -0.001    0.011  0.004 -0.056
 C3        -0.098  0.006  0.007   -0.002  0.033  0.001   -0.011 -0.004 -0.056
 H2        -0.108  0.004  0.007    0.000  0.172 -0.001   -0.055  0.004  0.026
 *H2       -0.108  0.004 -0.007    0.000  0.172  0.001    0.055 -0.004  0.026
 *H3       -0.115  0.011  0.005   -0.003  0.168  0.001    0.045  0.004 -0.076
 H3        -0.115  0.011 -0.005   -0.003  0.168 -0.001   -0.045 -0.003 -0.076
 C7         0.008 -0.003  0.000    0.001 -0.049  0.000    0.000  0.000  0.081
 F1         0.068  0.005  0.022   -0.008  0.060 -0.078   -0.050  0.095  0.067
 F2         0.047 -0.016  0.000    0.019 -0.075  0.000    0.000  0.000 -0.098
 F3         0.068  0.005 -0.022   -0.008  0.060  0.078    0.050 -0.095  0.067
 Br1        0.040  0.000  0.000    0.001  0.003  0.000    0.000  0.000 -0.001


                   590.85                 642.37                 689.47
                     A'                     A"                     A' 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.001 -0.104  0.000    0.000  0.000  0.049   -0.100  0.003  0.000
 *C4       -0.001 -0.096  0.000    0.000  0.000 -0.045    0.089 -0.006  0.000
 C2         0.002  0.060 -0.001    0.108 -0.002  0.082   -0.014 -0.001  0.073
 *C2        0.002  0.060  0.001   -0.108  0.002  0.082   -0.014 -0.001 -0.073
 *C3        0.000 -0.046  0.001   -0.107  0.001 -0.081   -0.010  0.000 -0.074
 C3         0.000 -0.046 -0.001    0.107 -0.001 -0.081   -0.010  0.000  0.074
 H2         0.003  0.263 -0.002    0.064 -0.001  0.108    0.062  0.002  0.030
 *H2        0.003  0.263  0.002   -0.064  0.001  0.108    0.062  0.002 -0.030
 *H3        0.003  0.091  0.002   -0.066 -0.003 -0.104   -0.096  0.007 -0.025
 H3         0.003  0.091 -0.002    0.066  0.003 -0.104   -0.096  0.007  0.025
 C7        -0.005  0.060  0.000    0.000  0.000 -0.002    0.083  0.004  0.000
 F1        -0.023 -0.029  0.069    0.004 -0.010 -0.012   -0.020 -0.042 -0.067
 F2         0.048  0.088  0.000    0.000  0.000  0.006   -0.019  0.083  0.000
 F3        -0.023 -0.029 -0.069   -0.004  0.010 -0.012   -0.020 -0.042  0.067
 Br1        0.000  0.001  0.000    0.000  0.000  0.003    0.011  0.000  0.000


                   729.71                 782.29                 845.77
                     A'                     A'                     A" 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.002  0.121  0.000    0.080  0.003  0.000    0.000  0.000 -0.001
 *C4        0.001 -0.162  0.000   -0.043 -0.005  0.000    0.000  0.000  0.000
 C2        -0.001 -0.085  0.000   -0.031 -0.003 -0.089   -0.001 -0.070  0.000
 *C2       -0.001 -0.085  0.000   -0.031 -0.003  0.089    0.001  0.070  0.000
 *C3        0.001  0.068 -0.001   -0.017  0.000  0.075    0.000  0.061  0.002
 C3         0.001  0.068  0.001   -0.017  0.000 -0.075    0.000 -0.061  0.002
 H2         0.000 -0.067  0.000   -0.124  0.008 -0.036    0.006  0.468 -0.003
 *H2        0.000 -0.067  0.000   -0.124  0.007  0.036   -0.006 -0.467 -0.003
 *H3        0.002  0.282  0.001    0.038  0.014  0.046    0.000 -0.417 -0.006
 H3         0.002  0.282 -0.001    0.038  0.014 -0.046    0.000  0.417 -0.006
 C7        -0.005  0.010  0.000    0.050  0.002  0.000    0.000  0.000 -0.003
 F1        -0.012 -0.001  0.023    0.013 -0.045 -0.078    0.000  0.000  0.001
 F2         0.026  0.025  0.000    0.009  0.091  0.000    0.000  0.000  0.000
 F3        -0.012 -0.001 -0.023    0.013 -0.045  0.078    0.000  0.000  0.001
 Br1        0.000 -0.001  0.000   -0.005  0.000  0.000    0.000  0.000  0.000


                   846.48                 969.75                 972.50
                     A'                     A'                     A" 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1       -0.001  0.058  0.000   -0.001 -0.009  0.000    0.000  0.000 -0.001
 *C4       -0.001  0.105  0.000    0.000  0.027  0.000    0.000  0.000  0.001
 C2         0.001 -0.061  0.003    0.001  0.062  0.003    0.001  0.071  0.000
 *C2        0.001 -0.061 -0.003    0.001  0.062 -0.003   -0.001 -0.071  0.000
 *C3        0.000 -0.061  0.000    0.000 -0.073  0.003    0.001  0.079  0.002
 C3         0.000 -0.061  0.000    0.000 -0.073 -0.003   -0.001 -0.079  0.002
 H2         0.008  0.448  0.000   -0.008 -0.401  0.007   -0.003 -0.398  0.001
 *H2        0.008  0.449  0.000   -0.008 -0.401 -0.007    0.003  0.398  0.001
 *H3        0.001  0.331  0.005   -0.005  0.469  0.014    0.004 -0.450 -0.008
 H3         0.001  0.330 -0.005   -0.005  0.469 -0.014   -0.004  0.450 -0.008
 C7         0.001  0.002  0.000    0.001  0.005  0.000    0.000  0.000 -0.004
 F1         0.008 -0.001 -0.010    0.002 -0.002 -0.003    0.000  0.000  0.001
 F2        -0.018 -0.023  0.000   -0.005 -0.008  0.000    0.000  0.000  0.000
 F3         0.008 -0.001  0.010    0.002 -0.002  0.003    0.000  0.000  0.001
 Br1        0.000 -0.002  0.000    0.000  0.001  0.000    0.000  0.000  0.000


                  1023.35                1084.52                1096.07
                     A'                     A'                     A' 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1       -0.111  0.001  0.000   -0.135  0.002  0.000    0.124 -0.002  0.000
 *C4       -0.056 -0.003  0.000    0.115  0.000  0.000    0.095 -0.001  0.000
 C2         0.027 -0.002  0.091   -0.049  0.001 -0.087   -0.023 -0.001  0.048
 *C2        0.027 -0.002 -0.091   -0.049  0.001  0.087   -0.023 -0.001 -0.048
 *C3        0.045  0.002  0.130    0.049 -0.001  0.054   -0.024  0.002  0.033
 C3         0.045  0.002 -0.130    0.049 -0.001 -0.054   -0.024  0.002 -0.033
 H2        -0.043  0.007  0.130    0.001  0.001 -0.130   -0.262  0.009  0.193
 *H2       -0.043  0.007 -0.130    0.001  0.001  0.130   -0.262  0.009 -0.193
 *H3       -0.019 -0.012  0.171    0.055 -0.002  0.061   -0.266 -0.009  0.177
 H3        -0.019 -0.012 -0.171    0.055 -0.002 -0.061   -0.266 -0.009 -0.177
 C7        -0.040 -0.002  0.000    0.094  0.005  0.000    0.094  0.001  0.000
 F1         0.011 -0.007 -0.013   -0.027  0.015  0.027   -0.023  0.013  0.024
 F2         0.011  0.016  0.000   -0.024 -0.033  0.000   -0.021 -0.028  0.000
 F3         0.011 -0.007  0.013   -0.027  0.015 -0.027   -0.023  0.013 -0.024
 Br1        0.003  0.000  0.000    0.006  0.000  0.000   -0.004  0.000  0.000


                  1136.93                1188.78                1214.60
                     A"                     A'                     A" 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.000  0.000  0.042   -0.001  0.001  0.000    0.000  0.000  0.010
 *C4        0.000  0.000  0.046    0.007  0.032  0.000    0.000  0.000  0.028
 C2        -0.064  0.001 -0.031    0.003 -0.002 -0.007    0.015  0.000 -0.003
 *C2        0.064 -0.001 -0.031    0.003 -0.002  0.007   -0.015  0.000 -0.003
 *C3       -0.059  0.003 -0.031   -0.003 -0.005  0.002    0.033  0.002 -0.017
 C3         0.059 -0.003 -0.031   -0.003 -0.005 -0.002   -0.033 -0.002 -0.017
 H2        -0.374  0.003  0.143    0.041  0.001 -0.029    0.116  0.000 -0.062
 *H2        0.374 -0.003  0.143    0.041  0.001  0.029   -0.116  0.000 -0.061
 *H3       -0.362 -0.008  0.138   -0.057  0.024  0.034    0.164 -0.007 -0.089
 H3         0.362  0.008  0.138   -0.057  0.024 -0.034   -0.164  0.007 -0.090
 C7         0.000  0.000  0.076   -0.005 -0.251  0.000    0.000  0.000  0.235
 F1         0.011 -0.010 -0.023   -0.014  0.031  0.026    0.026 -0.024 -0.058
 F2         0.000  0.000 -0.004    0.030  0.081  0.000    0.000  0.000 -0.014
 F3        -0.011  0.010 -0.023   -0.014  0.031 -0.026   -0.026  0.024 -0.058
 Br1        0.000  0.000 -0.001    0.000  0.000  0.000    0.000  0.000  0.000


                  1218.34                1338.00                1342.40
                     A'                     A"                     A' 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.008  0.000  0.000    0.000  0.000 -0.138    0.004  0.000  0.000
 *C4        0.003 -0.004  0.000    0.000  0.000  0.020   -0.137 -0.003  0.000
 C2         0.042  0.000 -0.024   -0.004  0.000  0.021    0.030  0.000  0.032
 *C2        0.042  0.000  0.024    0.005  0.000  0.021    0.030  0.000 -0.032
 *C3       -0.044  0.002  0.025   -0.053 -0.001  0.036   -0.037  0.000  0.018
 C3        -0.044  0.002 -0.025    0.053  0.001  0.036   -0.037  0.000 -0.018
 H2         0.394 -0.004 -0.228   -0.341  0.006  0.219    0.152 -0.004 -0.035
 *H2        0.394 -0.004  0.228    0.342 -0.006  0.219    0.152 -0.004  0.035
 *H3       -0.408 -0.006  0.234    0.350  0.005 -0.195    0.145 -0.001 -0.090
 H3        -0.408 -0.006 -0.234   -0.350 -0.005 -0.195    0.145 -0.001  0.090
 C7        -0.010  0.031  0.000    0.000  0.000  0.006    0.209 -0.008  0.000
 F1         0.004 -0.005 -0.004    0.002 -0.001 -0.003   -0.024  0.012  0.020
 F2        -0.002 -0.008  0.000    0.000  0.000 -0.001   -0.019 -0.017  0.000
 F3         0.004 -0.005  0.004   -0.002  0.001 -0.003   -0.024  0.012 -0.020
 Br1       -0.001  0.000  0.000    0.000  0.000  0.001    0.000  0.000  0.000


                  1349.39                1442.83                1538.32
                     A"                     A"                     A' 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.000  0.000  0.094    0.000  0.000  0.089    0.086 -0.001  0.000
 *C4        0.000  0.000  0.153    0.000  0.000  0.098    0.088  0.001  0.000
 C2         0.091 -0.001 -0.069   -0.093  0.001 -0.026   -0.092  0.001  0.073
 *C2       -0.091  0.001 -0.069    0.093 -0.001 -0.026   -0.092  0.001 -0.073
 *C3        0.060  0.000 -0.045   -0.100  0.000 -0.020   -0.025  0.000  0.060
 C3        -0.060  0.000 -0.045    0.100  0.000 -0.020   -0.025  0.000 -0.060
 H2        -0.190  0.004  0.092    0.168 -0.002 -0.191    0.301 -0.004 -0.148
 *H2        0.190 -0.004  0.092   -0.168  0.002 -0.191    0.301 -0.004  0.148
 *H3        0.116  0.001 -0.079    0.200  0.004 -0.206    0.252  0.001 -0.090
 H3        -0.116 -0.001 -0.079   -0.200 -0.004 -0.206    0.252  0.001  0.090
 C7         0.000  0.000 -0.052    0.000  0.000 -0.035   -0.035 -0.002  0.000
 F1         0.001  0.002  0.007    0.002  0.001  0.003    0.001  0.000 -0.001
 F2         0.000  0.000  0.005    0.000  0.000  0.003    0.001  0.001  0.000
 F3        -0.001 -0.002  0.007   -0.002 -0.001  0.003    0.001  0.000  0.001
 Br1        0.000  0.000  0.000    0.000  0.000 -0.001   -0.001  0.000  0.000


                  1632.66                1655.27                3217.57
                     A"                     A'                     A' 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.000  0.000 -0.134    0.045  0.000  0.000   -0.002  0.000  0.000
 *C4        0.000  0.000  0.151   -0.109 -0.001  0.000   -0.002  0.000  0.000
 C2        -0.039  0.001  0.085   -0.103  0.001  0.019   -0.014  0.000 -0.028
 *C2        0.039 -0.001  0.085   -0.103  0.001 -0.019   -0.014  0.000  0.028
 *C3        0.044  0.000 -0.088    0.130 -0.001 -0.045   -0.023  0.001 -0.043
 C3        -0.044  0.000 -0.088    0.130 -0.001  0.045   -0.023  0.001  0.043
 H2         0.117 -0.002  0.003    0.067 -0.001 -0.085    0.185 -0.001  0.323
 *H2       -0.117  0.002  0.003    0.067 -0.001  0.085    0.186 -0.001 -0.323
 *H3       -0.128  0.000  0.003   -0.161 -0.002  0.124    0.280 -0.008  0.489
 H3         0.128  0.000  0.003   -0.161 -0.002 -0.124    0.280 -0.008 -0.489
 C7         0.000  0.000 -0.023    0.022  0.001  0.000    0.000  0.000  0.000
 F1         0.002  0.000  0.002   -0.001  0.000  0.000    0.000  0.000  0.000
 F2         0.000  0.000  0.002    0.000  0.000  0.000    0.000  0.000  0.000
 F3        -0.002  0.000  0.002   -0.001  0.000  0.000    0.000  0.000  0.000
 Br1        0.000  0.000  0.001    0.001  0.000  0.000    0.000  0.000  0.000


                  3218.73                3232.02                3233.36
                     A"                     A"                     A' 
              X      Y      Z        X      Y      Z        X      Y      Z
 *C1        0.000  0.000  0.001    0.000  0.000  0.003    0.003  0.000  0.000
 *C4        0.000  0.000 -0.002    0.000  0.000  0.002   -0.002  0.000  0.000
 C2        -0.014  0.000 -0.027   -0.026  0.000 -0.043    0.026  0.000  0.043
 *C2        0.014  0.000 -0.027    0.026  0.000 -0.043    0.026  0.000 -0.043
 *C3        0.024 -0.001  0.043   -0.018  0.000 -0.027   -0.018  0.000 -0.028
 C3        -0.024  0.001  0.043    0.018  0.000 -0.027   -0.018  0.000  0.028
 H2         0.180 -0.001  0.313    0.287 -0.001  0.491   -0.283  0.001 -0.485
 *H2       -0.180  0.001  0.313   -0.287  0.001  0.491   -0.283  0.001  0.485
 *H3       -0.284  0.008 -0.494    0.181 -0.005  0.310    0.186 -0.005  0.320
 H3         0.285 -0.008 -0.495   -0.181  0.005  0.310    0.186 -0.005 -0.320
 C7         0.000  0.000  0.001    0.000  0.000 -0.001    0.000  0.000  0.000
 F1         0.000  0.000  0.000    0.000  0.000  0.000    0.000  0.000  0.000
 F2         0.000  0.000  0.000    0.000  0.000  0.000    0.000  0.000  0.000
 F3         0.000  0.000  0.000    0.000  0.000  0.000    0.000  0.000  0.000
 Br1        0.000  0.000  0.000    0.000  0.000  0.000    0.000  0.000  0.000


  Mode       Freq.     Intens.
    1       23.930       0.032
    2       70.738       0.709
    3      146.349       1.344
    4      199.145       0.068
    5      222.800       0.009
    6      271.419       0.026
    7      376.930       2.226
    8      403.571       1.467
    9      417.382       0.056
   10      435.584      22.922
   11      492.279       2.140
   12      574.280       0.002
   13      590.847       8.998
   14      642.375       0.816
   15      689.474       0.480
   16      729.711       3.216
   17      782.287      12.678
   18      845.769       0.139
   19      846.482      50.116
   20      969.750       0.695
   21      972.501       0.078
   22     1023.349      90.053
   23     1084.519      13.097
   24     1096.073     115.531
   25     1136.929      34.055
   26     1188.781     256.121
   27     1214.605     154.890
   28     1218.345       7.624
   29     1337.997       0.003
   30     1342.400     359.138
   31     1349.391       2.487
   32     1442.832      24.608
   33     1538.319      14.661
   34     1632.664       3.838
   35     1655.265      60.741
   36     3217.575       1.217
   37     3218.726       0.495
   38     3232.018       3.127
   39     3233.365       0.025

  Standard Thermodynamic quantities at 298.15 K and 1.00 atm

  Modifying values for 13 low frequency terms

             Term      ZPE     Enthalpy   Entropy     Cv      % in 
               cm-1    kJ/mol    kJ/mol   J/mol.K   J/mol.K  Ground IR Int.
    --   ----------   -------   -------   -------      ----
  1* A"      23.930    0.1431    1.2395    8.3144    4.1572   10.91   0.03
  2* A'      70.738    0.4231    1.2395    8.3144    4.1572   28.92   0.71
  3* A"     146.349    0.8754    1.2395    8.3144    4.1572   50.65   1.34
  4* A'     199.145    1.1912    1.2395    8.3144    4.1572   61.75   0.07
  5* A'     222.800    1.3326    1.2395    8.1010    4.1572   65.88   0.01
  6* A"     271.419    1.6234    1.2002    6.6406    4.1572   73.01   0.03
  7* A'     376.930    2.2545    0.8729    4.3993    4.1572   83.78   2.23
  8* A"     403.571    2.4139    0.8031    3.9731    4.1572   85.74   1.47
  9* A"     417.382    2.4965    0.7688    3.7693    4.1572   86.66   0.06
 10* A'     435.584    2.6054    0.7255    3.5170    4.1572   87.78  22.92
 11* A'     492.279    2.9445    0.6035    2.8355    4.1572   90.70   2.14
 12* A"     574.280    3.4350    0.4586    2.0755    4.1572   93.74   0.00
 13* A'     590.847    3.5340    0.4334    1.9483    4.1572   94.22   9.00
 14  A"     642.375    3.8423    0.3625    1.5993    3.9473   95.49   0.82
 15  A'     689.474    4.1240    0.3071    1.3338    3.5543   96.41   0.48
 16  A'     729.711    4.3646    0.2659    1.1413    3.2360   97.04   3.22
 17  A'     782.287    4.6791    0.2197    0.9297    2.8467   97.71  12.68
 18  A"     845.769    5.0588    0.1738    0.7243    2.4194   98.31   0.14
 19  A'     846.482    5.0631    0.1733    0.7223    2.4148   98.32  50.12
 20  A'     969.750    5.8004    0.1087    0.4420    1.7218   99.07   0.70
 21  A"     972.501    5.8168    0.1075    0.4372    1.7084   99.08   0.08
 22  A'    1023.349    6.1210    0.0884    0.3562    1.4741   99.28  90.05
 23  A'    1084.519    6.4869    0.0696    0.2778    1.2279   99.47  13.10
 24  A'    1096.073    6.5560    0.0665    0.2651    1.1855   99.50 115.53
 25  A"    1136.929    6.8003    0.0566    0.2243    1.0454   99.59  34.05
 26  A'    1188.781    7.1105    0.0460    0.1812    0.8883   99.68 256.12
 27  A"    1214.605    7.2649    0.0415    0.1629    0.8180   99.72 154.89
 28  A'    1218.345    7.2873    0.0409    0.1604    0.8082   99.72   7.62
 29  A"    1337.997    8.0030    0.0252    0.0975    0.5459   99.84   0.00
 30  A'    1342.400    8.0293    0.0247    0.0957    0.5379   99.85 359.14
 31  A"    1349.391    8.0711    0.0240    0.0929    0.5254   99.85   2.49
 32  A"    1442.832    8.6300    0.0164    0.0627    0.3823   99.91  24.61
 33  A'    1538.319    9.2012    0.0110    0.0418    0.2739   99.94  14.66
 34  A"    1632.664    9.7655    0.0074    0.0280    0.1956   99.96   3.84
 35  A'    1655.265    9.9007    0.0067    0.0254    0.1803   99.97  60.74
 36  A'    3217.575   19.2454    0.0000    0.0000    0.0004  100.00   1.22
 37  A"    3218.726   19.2522    0.0000    0.0000    0.0004  100.00   0.49
 38  A"    3232.018   19.3318    0.0000    0.0000    0.0003  100.00   3.13
 39  A'    3233.365   19.3398    0.0000    0.0000    0.0003  100.00   0.02
    --   ----------   -------   -------   -------      ----
   Total Vibrations  250.4187   14.3066   79.9192   85.9823

          Ideal Gas              2.4789                    
        Translation              3.7184  176.2940   12.4716
           Rotation              3.7184  132.3542   12.4716
         ----------             -------   -------   -------
             Totals            274.6411  388.5674  110.9255

 Vibrational(v) Corrections:
    Temp. Correction    Hv     274.6411  
  Entropy Correction (Hv-TSv)  158.7898  
   

  Principal moments of inertia in atomic units
  A =    640.322088  B =   6222.969284  C=   6543.603728

  Principal moments of inertia in amu*A^2
  A =    179.308473  B =   1742.609133  C=   1832.395935

  Principal moments of inertia in cm**(-1)
  A =      0.094015  B =      0.009674  C=      0.009200

  Center of mass 
    X =    -0.097  Y =     0.001  Z=     0.000

  Direction of A
    X =    -1.000  Y =     0.000  Z=     0.000

  Direction of B
    X =     0.000  Y =     0.000  Z=     1.000

  Direction of C
    X =    -0.000  Y =    -1.000  Z=    -0.000


  Reason for exit: Successful completion 
  Properties CPU Time :          .78
  Properties Wall Time:          .50



 Pruning archive.  Keeping 64 molecular orbitals.