*** TESTING QUICK API *** PRINTING ENERGY --------------- TOTAL ENERGY = -75.9740827874 A.U. PRINTING GRADIENTS ------------------ ATOMIC NUMBER GRAD-X GRAD-Y GRAD-Z 8 0.0023637392 -0.0000004693 -0.0308767766 1 -0.0001293752 0.0004145104 0.0146325414 1 -0.0001294141 -0.0004140421 0.0146322511 PRINTING POINT CHARGE GRADIENTS ------------------------------- CHARGE NUMBER GRAD-X GRAD-Y GRAD-Z 1 -0.0021049498 0.0000000011 0.0016119840 *** TESTING QUICK API *** PRINTING ENERGY --------------- TOTAL ENERGY = -75.9472732639 A.U. PRINTING GRADIENTS ------------------ ATOMIC NUMBER GRAD-X GRAD-Y GRAD-Z 8 -0.0143088470 0.0000407107 0.1643072979 1 0.0079528386 -0.1364578250 -0.0827858523 1 0.0079497085 0.1364170936 -0.0827630794 PRINTING POINT CHARGE GRADIENTS ------------------------------- CHARGE NUMBER GRAD-X GRAD-Y GRAD-Z 1 -0.0018130621 0.0000000286 0.0019914831 2 0.0002193619 -0.0000000078 -0.0007498493 *** TESTING QUICK API *** PRINTING ENERGY --------------- TOTAL ENERGY = -75.9599617906 A.U. PRINTING GRADIENTS ------------------ ATOMIC NUMBER GRAD-X GRAD-Y GRAD-Z 8 0.0083798709 0.0000203320 0.1811120290 1 -0.0056086341 -0.1430253480 -0.0883836809 1 -0.0056080794 0.1430050316 -0.0883737914 PRINTING POINT CHARGE GRADIENTS ------------------------------- CHARGE NUMBER GRAD-X GRAD-Y GRAD-Z 1 -0.0018602689 0.0000000084 0.0017484205 2 0.0002674368 -0.0000000023 -0.0007157583 3 0.0044296747 -0.0000000216 -0.0053872188 *** TESTING QUICK API *** PRINTING ENERGY --------------- TOTAL ENERGY = -75.9847103139 A.U. PRINTING GRADIENTS ------------------ ATOMIC NUMBER GRAD-X GRAD-Y GRAD-Z 8 0.0025500250 0.0000000083 0.0131813406 1 -0.0012750155 -0.0178446795 -0.0065906854 1 -0.0012750096 0.0178446712 -0.0065906552 *** TESTING QUICK API *** PRINTING ENERGY --------------- TOTAL ENERGY = -75.9750684808 A.U. PRINTING GRADIENTS ------------------ ATOMIC NUMBER GRAD-X GRAD-Y GRAD-Z 8 0.0085854591 -0.0000005333 -0.0007526982 1 -0.0032534648 -0.0115125134 -0.0004318369 1 -0.0032535184 0.0115130457 -0.0004321431 PRINTING POINT CHARGE GRADIENTS ------------------------------- CHARGE NUMBER GRAD-X GRAD-Y GRAD-Z 1 -0.0020784760 0.0000000010 0.0016166782