13 Scanning combination 1/37: [359.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4394653990 I 1.6088472750 -0.1325798231 0.0000038500 C -0.5233247637 -0.2158664275 -0.0000179936 C -1.1726774125 -1.4533298449 -0.0000160635 H -0.5872650479 -2.3745631788 -0.0000299048 C -2.5678657100 -1.5052587172 -0.0000061946 H -3.0743243247 -2.4727997825 -0.0000139637 C -3.3025914672 -0.3136366577 0.0000133995 H -4.3949499410 -0.3437685490 0.0000299475 C -2.6531878015 0.9177394496 0.0000256266 H -3.2085546153 1.8580314144 0.0000508628 C -1.2487639915 0.9908953498 0.0000009932 O -0.6841983745 2.2141066895 -0.0000509964 H 0.2837516565 2.1243606239 0.0001819971 13 Scanning combination 2/37: [369.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4391543470 I 1.6090033669 -0.1324317642 -0.0005215720 C -0.5232952668 -0.2158726951 -0.0000179951 C -1.1726423035 -1.4533403346 -0.0002908867 H -0.5872388146 -2.3745653215 -0.0000625916 C -2.5679458573 -1.5052411747 0.0000082693 H -3.0743676710 -2.4728262425 -0.0000546195 C -3.3027223282 -0.3137751140 0.0011051910 H -4.3950391527 -0.3437877841 -0.0000179385 C -2.6531253368 0.9176422330 0.0012592637 H -3.2085525206 1.8579590420 -0.0003031655 C -1.2488649818 0.9906765402 0.0000010025 O -0.6840568855 2.2144132455 -0.0000510094 H 0.2710116931 2.1303493641 -0.1589299265 13 Scanning combination 3/37: [379.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4382769030 I 1.6087441963 -0.1318995658 -0.0030612870 C -0.5226312078 -0.2158222313 -0.0000180324 C -1.1723644762 -1.4532605279 -0.0009596309 H -0.5871272401 -2.3745993970 -0.0005770105 C -2.5679054098 -1.5051371213 0.0008177771 H -3.0742823609 -2.4728096915 -0.0003136554 C -3.3033388472 -0.3143334915 0.0051746806 H -4.3956429192 -0.3442063014 0.0006422120 C -2.6531198568 0.9169929014 0.0053905158 H -3.2081831329 1.8575254145 -0.0010324022 C -1.2493043945 0.9897244904 0.0000010429 O -0.6836401084 2.2153162521 -0.0000510478 H 0.2333800479 2.1490475832 -0.3129574837 13 Scanning combination 4/37: [389.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4369721650 I 1.6083379240 -0.1301348667 -0.0121745674 C -0.5214573384 -0.2156273902 -0.0000181001 C -1.1714584608 -1.4531615065 -0.0009484250 H -0.5864354916 -2.3746221308 -0.0032500778 C -2.5673013763 -1.5053899245 0.0046503712 H -3.0731544842 -2.4734028678 0.0002800607 C -3.3041680199 -0.3158768716 0.0137124349 H -4.3965121681 -0.3463401741 0.0071667753 C -2.6531213311 0.9154602882 0.0121290796 H -3.2074839577 1.8563388699 0.0010455615 C -1.2499495978 0.9883265660 0.0000011024 O -0.6830099774 2.2166815202 -0.0000511058 H 0.1723462210 2.1810289394 -0.4567928644 13 Scanning combination 5/37: [399.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4354051070 I 1.6082846516 -0.1274066294 -0.0250108379 C -0.5196048229 -0.2150435674 -0.0000182116 C -1.1693547787 -1.4530088732 -0.0003183312 H -0.5842707061 -2.3744006200 -0.0064054042 C -2.5654638349 -1.5061870501 0.0099922070 H -3.0703068044 -2.4748240915 0.0044691302 C -3.3044175935 -0.3184476354 0.0234864187 H -4.3967527380 -0.3501189271 0.0198659331 C -2.6530338141 0.9131904288 0.0189025384 H -3.2072276497 1.8542021461 0.0077864891 C -1.2506220698 0.9868695602 0.0000011643 O -0.6821760534 2.2184883345 -0.0000511826 H 0.0899076636 2.2230422131 -0.5863684387 13 Scanning combination 6/37: [409.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4337397380 I 1.6084578812 -0.1243118820 -0.0343702322 C -0.5174239912 -0.2141348259 -0.0000183468 C -1.1667572398 -1.4527034334 0.0009415138 H -0.5814180957 -2.3738965057 -0.0077453295 C -2.5630852487 -1.5071580271 0.0148623889 H -3.0666931051 -2.4765397674 0.0097706399 C -3.3045241572 -0.3214163309 0.0312153159 H -4.3968245444 -0.3544321377 0.0313397878 C -2.6529676399 0.9105191804 0.0240227938 H -3.2072391103 1.8515691281 0.0149365978 C -1.2512639854 0.9854787591 0.0000012234 O -0.6812378317 2.2205211246 -0.0000512690 H -0.0114803194 2.2732042525 -0.6980920945 13 Scanning combination 7/37: [419.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4321163470 I 1.6080695894 -0.1237906835 -0.0354626176 C -0.5161909646 -0.2136538522 -0.0000184226 C -1.1660876611 -1.4524953216 0.0014713334 H -0.5809376526 -2.3738262272 -0.0077884616 C -2.5626057914 -1.5070342560 0.0155281249 H -3.0660698150 -2.4766414846 0.0106188180 C -3.3052822080 -0.3223619172 0.0319963195 H -4.3973363700 -0.3552922933 0.0329714105 C -2.6530695913 0.9092682346 0.0243864413 H -3.2070143195 1.8507982593 0.0162029524 C -1.2518656449 0.9841751787 0.0000012788 O -0.6803654162 2.2224113364 -0.0000513493 H -0.1293178313 2.3285008831 -0.7891652014 13 Scanning combination 8/37: [429.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4307081170 I 1.6077905249 -0.1234489445 -0.0359717190 C -0.5151601710 -0.2130537272 -0.0000184895 C -1.1656731869 -1.4522467440 0.0020379636 H -0.5806647442 -2.3737147063 -0.0077460244 C -2.5622679210 -1.5069067142 0.0158901128 H -3.0656424216 -2.4766992843 0.0111025249 C -3.3060119796 -0.3230511485 0.0320480589 H -4.3978334538 -0.3559448858 0.0338723381 C -2.6532243057 0.9081436720 0.0241997387 H -3.2068776248 1.8501550944 0.0171307954 C -1.2523453024 0.9831359329 0.0000013230 O -0.6796315499 2.2240013616 -0.0000514169 H -0.2598030474 2.3893496728 -0.8562753877 13 Scanning combination 9/37: [439.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4296486050 I 1.6079740279 -0.1222566528 -0.0372043677 C -0.5132876764 -0.2114378009 -0.0000186199 C -1.1644929678 -1.4510682866 0.0039188145 H -0.5797858781 -2.3727827890 -0.0071581167 C -2.5611323441 -1.5071193254 0.0168463935 H -3.0638442376 -2.4772361264 0.0126301397 C -3.3073197368 -0.3248678166 0.0312609277 H -4.3993408340 -0.3583035146 0.0361376408 C -2.6535744075 0.9057010569 0.0229497539 H -3.2070764739 1.8478126102 0.0201955415 C -1.2525367680 0.9827210955 0.0000013406 O -0.6788186665 2.2257625885 -0.0000514918 H -0.3985518491 2.4548442513 -0.8973915496 13 Scanning combination 10/37: [449.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4290025420 I 1.6085855284 -0.1210899691 -0.0380972136 C -0.5116218040 -0.2097120681 -0.0000187409 C -1.1634577728 -1.4497961892 0.0057269391 H -0.5786698809 -2.3714761982 -0.0061671686 C -2.5599599249 -1.5075229360 0.0175518830 H -3.0618390407 -2.4780995149 0.0141098685 C -3.3079508172 -0.3263381558 0.0299135879 H -4.4000018845 -0.3604916883 0.0376296830 C -2.6539786320 0.9037701497 0.0214136682 H -3.2081853183 1.8456386995 0.0230649061 C -1.2525982862 0.9825878075 0.0000013463 O -0.6783994752 2.2266708259 -0.0000515304 H -0.5420617847 2.5214833554 -0.9111207802 13 Scanning combination 11/37: [459.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4288255030 I 1.6105464203 -0.1181277701 -0.0394984665 C -0.5088976920 -0.2068111307 -0.0000189401 C -1.1607069912 -1.4475008456 0.0087191079 H -0.5749103167 -2.3683722743 -0.0028925999 C -2.5568869535 -1.5088440621 0.0186035663 H -3.0565672357 -2.4805277815 0.0173144487 C -3.3075963928 -0.3292994591 0.0273076243 H -4.3997492751 -0.3650518463 0.0388252139 C -2.6545217119 0.9008737042 0.0190602045 H -3.2119433310 1.8409858595 0.0280702000 C -1.2524102095 0.9829953024 0.0000013290 O -0.6782379217 2.2270208543 -0.0000515453 H -0.6859572900 2.5872236482 -0.8972837000 13 Scanning combination 12/37: [469.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4291120440 I 1.6144817823 -0.1106643755 -0.0409883789 C -0.5042845906 -0.2027521104 -0.0000192627 C -1.1534913597 -1.4451029134 0.0128643909 H -0.5644324509 -2.3638030826 0.0043210028 C -2.5492074812 -1.5125403303 0.0205443142 H -3.0450180178 -2.4861318501 0.0225248344 C -3.3040549402 -0.3355456580 0.0247187108 H -4.3961808523 -0.3742228823 0.0375892554 C -2.6547912941 0.8962057449 0.0172722252 H -3.2187177115 1.8326833879 0.0331786175 C -1.2520779127 0.9837152705 0.0000012984 O -0.6784310353 2.2266024465 -0.0000515275 H -0.8261156387 2.6497308580 -0.8563653355 13 Scanning combination 13/37: [479.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4298121110 I 1.6209544285 -0.0960742885 -0.0414328856 C -0.4970721543 -0.1974828882 -0.0000197487 C -1.1401269521 -1.4429751401 0.0177604549 H -0.5453323920 -2.3579969350 0.0135551434 C -2.5352968295 -1.5195755077 0.0235116005 H -3.0253508569 -2.4959782779 0.0286942457 C -3.2964692709 -0.3466480543 0.0222458430 H -4.3884191386 -0.3906825572 0.0339061036 C -2.6545268449 0.8886509817 0.0149710763 H -3.2274224266 1.8200120092 0.0342422043 C -1.2517264461 0.9844767725 0.0000012660 O -0.6790280199 2.2253089948 -0.0000514725 H -0.9577386144 2.7080203807 -0.7892300387 13 Scanning combination 14/37: [489.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4307935790 I 1.6282032858 -0.0785745390 -0.0401491830 C -0.4890645647 -0.1919496166 -0.0000202827 C -1.1247405155 -1.4409138180 0.0210725221 H -0.5235029544 -2.3517480145 0.0201015319 C -2.5193543992 -1.5277209641 0.0257635456 H -3.0029900904 -2.5072028984 0.0335705230 C -3.2874430159 -0.3594418093 0.0197621850 H -4.3791399095 -0.4097099704 0.0296813312 C -2.6539717267 0.8800895498 0.0118374401 H -3.2366058396 1.8058520952 0.0308495469 C -1.2513581797 0.9852746739 0.0000012321 O -0.6798885625 2.2234445074 -0.0000513933 H -1.0767192118 2.7604390266 -0.6980238318 13 Scanning combination 15/37: [499.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4317878140 I 1.6284234396 -0.0781508013 -0.0400703799 C -0.4884718153 -0.1913610867 -0.0000203253 C -1.1244866791 -1.4403888452 0.0210369001 H -0.5230010971 -2.3514730566 0.0202088615 C -2.5191226639 -1.5280786706 0.0258537940 H -3.0025123770 -2.5074881859 0.0336570026 C -3.2871333824 -0.3597535623 0.0197010340 H -4.3788773695 -0.4101143713 0.0295755311 C -2.6538655761 0.8796371183 0.0116806673 H -3.2371846823 1.8054691203 0.0307371108 C -1.2508801174 0.9863104636 0.0000011881 O -0.6804735244 2.2221771046 -0.0000513394 H -1.1786515539 2.8070560156 -0.5855913829 13 Scanning combination 16/37: [509.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4330012780 I 1.6400182769 -0.0487621339 -0.0335762226 C -0.4759113802 -0.1830831398 -0.0000211561 C -1.0994452835 -1.4372132345 0.0211891505 H -0.4876907436 -2.3410673713 0.0229135840 C -2.4932663318 -1.5410146667 0.0262707998 H -2.9662965165 -2.5254384593 0.0366465423 C -3.2722363378 -0.3804995765 0.0164822387 H -4.3634481020 -0.4405754426 0.0236395823 C -2.6525840008 0.8659633244 0.0069843315 H -3.2513893658 1.7824477804 0.0204001455 C -1.2506303623 0.9868515933 0.0000011651 O -0.6817961945 2.2193113527 -0.0000512176 H -1.2636140021 2.8409502723 -0.4557426394 13 Scanning combination 17/37: [519.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4338572470 I 1.6401316313 -0.0484697877 -0.0334895492 C -0.4755798035 -0.1828966902 -0.0000211775 C -1.0992383367 -1.4369236806 0.0209578121 H -0.4873496685 -2.3409397806 0.0229577280 C -2.4931429571 -1.5412137055 0.0262650678 H -2.9659706943 -2.5256078646 0.0366651333 C -3.2720458859 -0.3807416282 0.0165525850 H -4.3632801284 -0.4408570608 0.0235748936 C -2.6524334913 0.8656834453 0.0070670577 H -3.2516845179 1.7822668079 0.0202216726 C -1.2502459063 0.9876845717 0.0000011297 O -0.6822084842 2.2184180686 -0.0000511796 H -1.3246134382 2.8688761845 -0.3118303796 13 Scanning combination 18/37: [529.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4344336250 I 1.6404834662 -0.0478484433 -0.0332343979 C -0.4749823079 -0.1823351192 -0.0000212199 C -1.0987592723 -1.4362657607 0.0200751754 H -0.4867368797 -2.3404093177 0.0230482614 C -2.4927794156 -1.5415408388 0.0261655218 H -2.9653389197 -2.5260215859 0.0367225710 C -3.2716361559 -0.3812133794 0.0169373305 H -4.3628984921 -0.4413629369 0.0234748241 C -2.6521117676 0.8652882008 0.0075708874 H -3.2523516337 1.7816817525 0.0196204208 C -1.2499396157 0.9883481936 0.0000011014 O -0.6827026348 2.2173474214 -0.0000511341 H -1.3620301481 2.8853660391 -0.1584310406 13 Scanning combination 19/37: [539.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4347647180 I 1.6469950751 -0.0304538875 -0.0254042921 C -0.4680086367 -0.1779370994 -0.0000216777 C -1.0844443351 -1.4347141028 0.0138854617 H -0.4664967279 -2.3343765559 0.0174191052 C -2.4779003934 -1.5487200156 0.0242081778 H -2.9445632955 -2.5360383870 0.0354270331 C -3.2630445512 -0.3929144173 0.0202173431 H -4.3539124666 -0.4584849031 0.0267918811 C -2.6513113012 0.8576082835 0.0094636750 H -3.2597832712 1.7686630842 0.0110675633 C -1.2500689987 0.9880678670 0.0000011134 O -0.6832737160 2.2161100932 -0.0000510815 H -1.3771698074 2.8878604061 -0.0003075780 13 Scanning combination 20/37: [549.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4345602450 I 1.6472107472 -0.0297634623 -0.0250329999 C -0.4678188405 -0.1778707524 -0.0000216893 C -1.0838440265 -1.4348386727 0.0130775027 H -0.4656521316 -2.3342730865 0.0172854146 C -2.4772459656 -1.5490184877 0.0240396857 H -2.9436894825 -2.5364580785 0.0353957111 C -3.2626979961 -0.3933981606 0.0205904905 H -4.3535401684 -0.4592815784 0.0269072499 C -2.6513265088 0.8573339448 0.0100325180 H -3.2599028979 1.7682022475 0.0105699036 C -1.2501641422 0.9878617251 0.0000011221 O -0.6831553773 2.2163664907 -0.0000510924 H -1.3646140319 2.8821802824 0.1579867025 13 Scanning combination 21/37: [559.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4339749970 I 1.6473798095 -0.0289879381 -0.0244670892 C -0.4677864210 -0.1779796765 -0.0000216892 C -1.0831331191 -1.4353149933 0.0116910436 H -0.4646167016 -2.3343728378 0.0170682913 C -2.4764114446 -1.5493509248 0.0237210497 H -2.9426286109 -2.5369377414 0.0353593579 C -3.2623346090 -0.3939431070 0.0213404928 H -4.3531353060 -0.4603043879 0.0271329387 C -2.6514471801 0.8570881808 0.0110461468 H -3.2598036153 1.7677643618 0.0097156749 C -1.2504276261 0.9872908500 0.0000011464 O -0.6827684702 2.2172047796 -0.0000511281 H -1.3272017810 2.8654494805 0.3115165294 13 Scanning combination 22/37: [569.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4331050970 I 1.6474353564 -0.0278413669 -0.0233151989 C -0.4679100373 -0.1783871727 -0.0000216754 C -1.0819613337 -1.4364536522 0.0095050955 H -0.4629052772 -2.3350568641 0.0163485044 C -2.4750931948 -1.5499329427 0.0231554315 H -2.9409299688 -2.5377267565 0.0352030911 C -3.2617514780 -0.3948144881 0.0226622971 H -4.3525118328 -0.4621635998 0.0277437431 C -2.6515548337 0.8567560626 0.0124724440 H -3.2592099879 1.7674185676 0.0082097901 C -1.2507902847 0.9865050988 0.0000011798 O -0.6820892676 2.2186763682 -0.0000511906 H -1.2657644394 2.8386578273 0.4556243986 13 Scanning combination 23/37: [579.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4320740040 I 1.6473166741 -0.0268032796 -0.0218583052 C -0.4682265248 -0.1790974923 -0.0000216458 C -1.0807237978 -1.4379770203 0.0076577209 H -0.4612296107 -2.3362119594 0.0151303093 C -2.4737457079 -1.5505312172 0.0226940820 H -2.9392698433 -2.5385445488 0.0348922387 C -3.2611351067 -0.3956817266 0.0237428162 H -4.3518330131 -0.4642624485 0.0286082277 C -2.6515846360 0.8565252791 0.0132703272 H -3.2580086725 1.7674652226 0.0067602516 C -1.2512130440 0.9855891310 0.0000012187 O -0.6812668021 2.2204583562 -0.0000512663 H -1.1822509736 2.8023143142 0.5859016658 13 Scanning combination 24/37: [589.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4310192800 I 1.6470860484 -0.0261362377 -0.0205473787 C -0.4687392343 -0.1800478707 -0.0000216014 C -1.0797640074 -1.4395441817 0.0065664878 H -0.4600407203 -2.3374768462 0.0139293005 C -2.4727417489 -1.5509174770 0.0224479787 H -2.9380952810 -2.5391103455 0.0345678691 C -3.2606895549 -0.3962964739 0.0241903117 H -4.3513115875 -0.4659566533 0.0293194695 C -2.6515373845 0.8565075743 0.0132952179 H -3.2565037109 1.7678785369 0.0058070766 C -1.2516441865 0.9846549996 0.0000012584 O -0.6804235716 2.2222853345 -0.0000513440 H -1.0795533937 2.7570005213 0.6984861864 13 Scanning combination 25/37: [599.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4300813610 I 1.6467476995 -0.0256786995 -0.0192853298 C -0.4694225122 -0.1812368292 -0.0000215435 C -1.0789570604 -1.4411954637 0.0060032148 H -0.4591257047 -2.3389203277 0.0127718045 C -2.4719855323 -1.5511925249 0.0222883067 H -2.9372312147 -2.5395287765 0.0342465924 C -3.2603005109 -0.3967554438 0.0240964710 H -4.3508586282 -0.4674184613 0.0298676942 C -2.6513585894 0.8566708681 0.0127517789 H -3.2546996769 1.7686285322 0.0051994772 C -1.2520162134 0.9838489507 0.0000012927 O -0.6796266493 2.2240119795 -0.0000514174 H -0.9606733991 2.7041716092 0.7899472659 13 Scanning combination 26/37: [609.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4293935330 I 1.6461084171 -0.0251555735 -0.0170651360 C -0.4703645286 -0.1829659717 -0.0000214621 C -1.0778957978 -1.4435807646 0.0057250696 H -0.4580257680 -2.3414491853 0.0109273696 C -2.4711114135 -1.5517283125 0.0219424001 H -2.9363251834 -2.5401389445 0.0337125074 C -3.2595133746 -0.3972885986 0.0230236836 H -4.3499812766 -0.4695230397 0.0304332024 C -2.6508659870 0.8570251130 0.0110859840 H -3.2515147009 1.7703446071 0.0045876542 C -1.2522773293 0.9832832061 0.0000013167 O -0.6789030208 2.2255798231 -0.0000514840 H -0.8286588880 2.6463069489 0.8572115199 13 Scanning combination 27/37: [619.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4290554560 I 1.6456474270 -0.0248336782 -0.0149624736 C -0.4713070808 -0.1846293812 -0.0000213818 C -1.0771593439 -1.4455168522 0.0059797602 H -0.4574142201 -2.3435108444 0.0095205142 C -2.4705918028 -1.5521354492 0.0214752794 H -2.9359148457 -2.5405519929 0.0332313722 C -3.2587201345 -0.3975681556 0.0211754677 H -4.3490963558 -0.4709738935 0.0304839821 C -2.6503584325 0.8575842276 0.0089398095 H -3.2487389522 1.7720362769 0.0043881732 C -1.2524489558 0.9829113531 0.0000013325 O -0.6785192983 2.2264112123 -0.0000515193 H -0.6882633960 2.5838979853 0.8983140081 13 Scanning combination 28/37: [629.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4291403270 I 1.6453198487 -0.0246872934 -0.0129960223 C -0.4723379892 -0.1862342065 -0.0000212977 C -1.0767232828 -1.4471595437 0.0065951228 H -0.4570946972 -2.3452603344 0.0086006454 C -2.4703776079 -1.5524789911 0.0208856297 H -2.9358820059 -2.5408250503 0.0328024137 C -3.2578556426 -0.3975580725 0.0187245569 H -4.3481799753 -0.4718292401 0.0300622963 C -2.6498485484 0.8584056195 0.0064513878 H -3.2464396267 1.7737129788 0.0044919037 C -1.2524735693 0.9828580244 0.0000013348 O -0.6784532058 2.2265544109 -0.0000515254 H -0.5437655280 2.5189573763 0.9120300140 13 Scanning combination 29/37: [639.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4296851590 I 1.6449119862 -0.0248436450 -0.0095834025 C -0.4736579985 -0.1881807554 -0.0000211919 C -1.0765012800 -1.4491838581 0.0074657169 H -0.4570564004 -2.3476167886 0.0080134856 C -2.4703896142 -1.5529513963 0.0194380934 H -2.9365312881 -2.5410077482 0.0320693745 C -3.2564982584 -0.3971055699 0.0141686705 H -4.3466647331 -0.4722457096 0.0281956689 C -2.6492224620 0.8597763944 0.0023929477 H -3.2435064814 1.7763680123 0.0046030366 C -1.2523937479 0.9830309688 0.0000013274 O -0.6787782229 2.2258502153 -0.0000514955 H -0.3993821326 2.4540524602 0.8976818087 13 Scanning combination 30/37: [649.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4307099120 I 1.6436069531 -0.0289938914 0.0095650458 C -0.4763849109 -0.1911083982 -0.0000209920 C -1.0794542977 -1.4514546764 0.0062656432 H -0.4615229646 -2.3512281150 0.0106756697 C -2.4737111153 -1.5518386568 0.0090444094 H -2.9426580242 -2.5385561741 0.0226951713 C -3.2564478848 -0.3936748037 -0.0031426920 H -4.3465327344 -0.4680670782 0.0071274520 C -2.6486080888 0.8632394491 -0.0090242325 H -3.2386184957 1.7824129922 -0.0033341986 C -1.2522290832 0.9833877381 0.0000013123 O -0.6795299225 2.2242215517 -0.0000514263 H -0.2598934160 2.3905116554 0.8560112288 13 Scanning combination 31/37: [659.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4320955430 I 1.6419702511 -0.0354859770 0.0260656135 C -0.4798459704 -0.1934549044 -0.0000207620 C -1.0847308339 -1.4523507917 0.0047155504 H -0.4683434836 -2.3531785975 0.0134679229 C -2.4791213860 -1.5494984999 -0.0018369748 H -2.9506573703 -2.5349285378 0.0095240884 C -3.2578272965 -0.3885177704 -0.0193109110 H -4.3481260056 -0.4602798167 -0.0157117132 C -2.6484310617 0.8675705328 -0.0190522202 H -3.2366431409 1.7877544148 -0.0134129249 C -1.2517365571 0.9844548656 0.0000012669 O -0.6803487237 2.2224475030 -0.0000513509 H -0.1297088621 2.3288821525 0.7891219453 13 Scanning combination 32/37: [669.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4336430610 I 1.6422937824 -0.0357017453 0.0264364430 C -0.4805836734 -0.1938420629 -0.0000207149 C -1.0849651157 -1.4523907238 0.0048009293 H -0.4685335068 -2.3532041694 0.0135068503 C -2.4792742511 -1.5497008404 -0.0021090229 H -2.9508315802 -2.5348996185 0.0092029221 C -3.2573925268 -0.3881325915 -0.0197204788 H -4.3480349577 -0.4600206033 -0.0162044704 C -2.6484064268 0.8682020500 -0.0193628188 H -3.2366996646 1.7879529445 -0.0135784701 C -1.2510781174 0.9858814685 0.0000012063 O -0.6810316884 2.2209677633 -0.0000512880 H -0.0115719447 2.2740947141 0.6981799197 13 Scanning combination 33/37: [679.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4352714530 I 1.6430202588 -0.0362886111 0.0270725126 C -0.4819603054 -0.1942834299 -0.0000206319 C -1.0855809111 -1.4526512935 0.0049586495 H -0.4688617282 -2.3532459235 0.0136248514 C -2.4796218444 -1.5499878834 -0.0025739381 H -2.9512598693 -2.5349919343 0.0086685518 C -3.2564222427 -0.3871750591 -0.0202435048 H -4.3473397977 -0.4593126389 -0.0170287858 C -2.6482098673 0.8694405907 -0.0197416991 H -3.2370751130 1.7885957372 -0.0138519252 C -1.2503079458 0.9875501543 0.0000011354 O -0.6819491100 2.2189800397 -0.0000512035 H 0.0901811977 2.2260841863 0.5860172094 13 Scanning combination 34/37: [689.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4368233300 I 1.6438949206 -0.0388043673 0.0286925122 C -0.4838820486 -0.1951353720 -0.0000205119 C -1.0870964112 -1.4533165316 0.0049241466 H -0.4699939876 -2.3536062248 0.0140902720 C -2.4807789572 -1.5499564319 -0.0037169541 H -2.9531838932 -2.5346824311 0.0069388157 C -3.2547719958 -0.3848481420 -0.0209287068 H -4.3453917926 -0.4563503286 -0.0194798056 C -2.6480084212 0.8720179651 -0.0198432950 H -3.2380335603 1.7906344899 -0.0149472254 C -1.2495212311 0.9892546831 0.0000010629 O -0.6828390447 2.2170518701 -0.0000511216 H 0.1725238245 2.1843079930 0.4565301357 13 Scanning combination 35/37: [699.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4380954230 I 1.6443521492 -0.0417027220 0.0296019822 C -0.4853143165 -0.1956855886 -0.0000204239 C -1.0884807615 -1.4536525719 0.0044968486 H -0.4713790482 -2.3539837156 0.0143808180 C -2.4819289743 -1.5495844813 -0.0045045590 H -2.9552825052 -2.5338172690 0.0051926111 C -3.2540456530 -0.3828616472 -0.0204038639 H -4.3446249912 -0.4533632273 -0.0215257138 C -2.6478982106 0.8738750959 -0.0187276458 H -3.2384379518 1.7922123522 -0.0162180260 C -1.2487974911 0.9908227682 0.0000009963 O -0.6834382435 2.2157536210 -0.0000510664 H 0.2336648056 2.1529458193 0.3128513591 13 Scanning combination 36/37: [709.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4389294340 I 1.6445482740 -0.0449138659 0.0294611282 C -0.4865013231 -0.1961340294 -0.0000203512 C -1.0900189688 -1.4538115500 0.0038493966 H -0.4731127903 -2.3543067859 0.0142874025 C -2.4833219775 -1.5489391059 -0.0048852237 H -2.9575938239 -2.5326981054 0.0033482865 C -3.2539463172 -0.3809605128 -0.0186128157 H -4.3445074586 -0.4503379735 -0.0230042682 C -2.6478563025 0.8754403201 -0.0164021675 H -3.2385164379 1.7937264408 -0.0175342396 C -1.2482822842 0.9919390370 0.0000009488 O -0.6837981009 2.2149739391 -0.0000510332 H 0.2713022233 2.1331249750 0.1591424701 13 Scanning combination 37/37: [719.9822] Reference = QM mode=3 Geometry = QM projected scan Energy = -604.4392016480 I 1.6445023632 -0.0465819388 0.0286307065 C -0.4870274282 -0.1963360821 -0.0000203189 C -1.0908616401 -1.4538359157 0.0033291233 H -0.4741295328 -2.3544634716 0.0140312386 C -2.4841244628 -1.5485202747 -0.0049060843 H -2.9588411897 -2.5320465950 0.0023789249 C -3.2541437941 -0.3800360868 -0.0167529131 H -4.3447065724 -0.4488302282 -0.0234759727 C -2.6478794659 0.8761289304 -0.0142591078 H -3.2384113037 1.7944902854 -0.0182971947 C -1.2481086245 0.9923152953 0.0000009328 O -0.6839102440 2.2147309652 -0.0000510229 H 0.2840239946 2.1263946201 0.0001817594