%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Hydramethylnon CONF4 water 0 1 F -5.1009228560 -5.8509150064 0.6981864770 F -6.6868784788 -4.4052593907 0.7820686566 F -6.0888290413 -5.2315662971 -1.1089222233 F 8.4130123142 -0.7662562016 1.1785191756 F 8.1328150610 -2.6857272693 0.2466930538 F 8.4082947129 -0.9270205474 -0.9616316891 N -0.8442489559 4.7789808031 -0.3894011878 N -3.1168041286 4.2068006237 -0.1321701001 N -1.5304516326 2.5801160667 -0.1185950428 N -0.2673600933 2.2047046695 -0.1352671605 C -2.3818160450 6.6060885671 0.0709239205 C -1.1113528583 6.1737707417 -0.6572697328 C -3.4754266679 5.5984482124 -0.2950531860 C -2.7872855786 7.9961111093 -0.4024166265 C -2.1515862186 6.6281458017 1.5814421428 C -1.8719814111 3.9204107432 -0.2192365530 C 0.0893014369 0.9718222994 0.0157826470 C -0.8112492364 -0.1716837674 0.2288542782 C 1.5262990398 0.7615297144 0.0173303896 C -1.8898092356 -0.4454838244 -0.5155459636 C 2.1399806356 -0.4307523372 0.0681701149 C -2.8096824852 -1.5682507440 -0.3294560577 C 3.5848812809 -0.6386422074 0.0872167928 C -2.7740700816 -2.4222622185 0.7768746040 C 4.5135300588 0.4073977130 0.1698213113 C -3.7825427565 -1.7953725659 -1.3047902002 C 4.0785133857 -1.9436870831 0.0272414579 C -4.6261832054 -3.6860307646 -0.0941248940 C 6.3418166751 -1.1559386767 0.1336076626 C -3.6703961627 -3.4674940109 0.8947259694 C 5.8696550349 0.1542503144 0.1906248769 C -4.6822440023 -2.8421122219 -1.1952339684 C 5.4391484163 -2.2057759050 0.0476449011 C -5.6198391783 -4.7924505029 0.0644432210 C 7.8165591848 -1.3908166705 0.1508141127 H -1.2228242222 6.3539499258 -1.7328932751 H -0.2568596428 6.7635619881 -0.3215248111 H -3.7832598623 5.7776652493 -1.3328565520 H -4.3639909567 5.8038803522 0.3081423208 H -2.0280010392 8.7386642154 -0.1487607778 H -3.7222828723 8.3085217205 0.0668715094 H -2.9328539832 8.0247793817 -1.4842155215 H -3.0547851731 6.9546323136 2.1007111724 H -1.3521408919 7.3245864571 1.8424777120 H -1.8805005298 5.6511867230 1.9826354654 H 0.0768971806 4.4072292874 -0.5491557216 H -2.2849431279 1.9316127350 0.0774930760 H -0.5273398908 -0.8346025660 1.0406088302 H 2.1080088639 1.6750737989 -0.0380737390 H -2.1226550190 0.1870063965 -1.3671816681 H 1.5462010247 -1.3390841372 0.0897802001 H -2.0488796069 -2.2749931140 1.5659784464 H 4.1821705069 1.4355033661 0.2278480892 H -3.8355963236 -1.1437377512 -2.1678789690 H 3.3853093624 -2.7730330964 -0.0368723146 H -3.6159843325 -4.1070275973 1.7656488531 H 6.5582865746 0.9869596323 0.2581347663 H -5.4192024397 -2.9853450023 -1.9738025532 H 5.7752608545 -3.2322676823 -0.0019286949 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Hydramethylnon CONF4 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Hydramethylnon CONF4 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Hydramethylnon CONF4 water 0 1