%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Imiprothrin_RS CONF1 water 0 1 O 0.8959015090 1.8160427819 -0.9878052134 O 1.2276573076 1.1186576252 1.1091846737 O -1.5064549402 2.2121896031 2.0410658179 O -1.7111634977 0.8280392246 -2.3019792489 N -1.3380287560 1.7407671801 -0.2088882405 N -2.9491934530 0.2502521323 -0.4439857204 C 3.8788744789 -0.1349191840 0.0804680510 C 2.8384508955 -1.1310464117 -0.2870257811 C 2.6502069726 0.3479507425 -0.6666876398 C 5.1433263112 -0.1233175269 -0.7473299411 C 4.1279458593 0.2320892214 1.5224212626 C 1.9602876660 -1.7919977634 0.7063617811 C 1.5592159616 1.1103338998 -0.0519587666 C 0.7612876511 -2.2958254721 0.4007761158 C -0.0803648197 -2.9927730226 1.4228806859 C 0.1896262303 -2.1948916473 -0.9856272458 C -0.2305078632 2.5714996048 -0.5836324819 C -1.8548269215 1.6105905254 1.0542206090 C -1.9889418808 0.9022803504 -1.1230795052 C -2.9554284445 0.5902672634 0.9548212884 C -3.8352408658 -0.7287473470 -1.0237914546 C -3.7167156872 -2.0307288570 -0.3749267044 C -3.6336316391 -3.0912836323 0.1827517018 H 3.0590050082 -1.7345718909 -1.1643454252 H 2.8028756034 0.5706940310 -1.7156884553 H 5.8663650839 -0.8374183855 -0.3486273992 H 4.9524755115 -0.3899769172 -1.7875434305 H 5.6088073760 0.8638305139 -0.7344721646 H 4.4946769963 1.2569674146 1.5985896328 H 3.2576967241 0.1417995929 2.1655436791 H 4.9021809933 -0.4218285682 1.9283683825 H 2.3304072931 -1.8927516215 1.7218642919 H 0.4298325279 -3.0857694140 2.3816837181 H -1.0165034796 -2.4518259311 1.5882832369 H -0.3597881744 -3.9949369351 1.0870470673 H 0.6981533591 -2.8775861356 -1.6723191965 H -0.8688890685 -2.4556092495 -1.0043739986 H 0.2949872372 -1.1932512972 -1.4059360942 H 0.0004450024 3.2369092077 0.2469411289 H -0.4943922665 3.1734938741 -1.4492513485 H -2.7324637255 -0.2685841811 1.5942110730 H -3.9081220372 1.0194296816 1.2740422205 H -3.6074253620 -0.8188314341 -2.0860454989 H -4.8697211987 -0.3835598607 -0.9522912655 H -3.5583454966 -4.0371059682 0.6715176220 --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 Imiprothrin_RS CONF1 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 Imiprothrin_RS CONF1 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 Imiprothrin_RS CONF1 water 0 1