%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Flumethrin CONF8 water 0 1 Cl 1.6050618553 1.0428416501 2.6043507844 Cl 6.3832297615 -1.4824857111 -1.7192473836 F -2.3127228204 -4.0445314487 0.1683631005 O -3.4119558608 2.0079752208 -1.0233466184 O -3.2030381442 2.0170526955 1.1997821326 O -0.9412563552 -2.3208273012 -1.4456611444 N -6.4643756643 1.7900726932 0.5110896337 C -0.8129195915 4.0439259494 0.5962483085 C -0.3189969812 2.6462093582 0.8004203582 C -1.4548054032 2.9161646651 -0.1818073452 C 0.0047048767 5.0095761243 -0.2252012179 C -1.5426631989 4.6996755966 1.7400340236 C 0.9266878842 2.1073120992 0.2487384121 C -2.7514421968 2.2994255638 0.1189335422 C 1.8023719484 1.3363371688 0.8955968947 C -4.4325620057 1.0304696873 -0.9488248412 C 2.9472524728 0.6627742907 0.2685720767 C -3.8750435571 -0.3301927653 -0.5777218621 C 2.8473079090 0.2217930656 -1.0526603934 C 4.1329552763 0.4201103907 0.9612792345 C -5.5410032418 1.4612462196 -0.0910382246 C 3.9020468124 -0.4250520975 -1.6728635309 C 5.1936239907 -0.2305181247 0.3537457754 C -2.6443038047 -0.6977654994 -1.1170682280 C -4.5652963361 -1.2234792261 0.2266657879 C 5.0691982008 -0.6501774728 -0.9609067925 C -2.1151780914 -1.9468704550 -0.8569353471 C -4.0429087577 -2.4844444382 0.4837273964 C -2.8284916868 -2.8338265979 -0.0607623781 C 0.1736431481 -2.5262536276 -0.6674961411 C 0.2880651153 -2.0682201573 0.6376240596 C 1.2209705234 -3.2060326934 -1.2780057403 C 1.4622955445 -2.3199906316 1.3378261575 C 2.3886094173 -3.4372520513 -0.5681410137 C 2.5142960303 -3.0016099841 0.7453622811 H -0.6404163511 2.2018007557 1.7353180155 H -1.1841423544 2.8819892352 -1.2307833537 H -0.6277540118 5.8147260742 -0.6020093658 H 0.4839426501 4.5386631287 -1.0824500205 H 0.7853904078 5.4599609838 0.3895773617 H -0.8295458141 5.2419194792 2.3627355539 H -2.0619747803 3.9903323716 2.3805353573 H -2.2730846459 5.4209244482 1.3696430733 H 1.1358684009 2.3079459084 -0.7961024190 H -4.8396306174 0.9856418427 -1.9623853207 H 1.9251533381 0.3541889251 -1.6031484707 H 4.2455464470 0.7397662798 1.9884429659 H -2.0835354855 -0.0282137168 -1.7575018114 H 3.7995074459 -0.7701055588 -2.6926573103 H 6.1061598444 -0.4069196419 0.9066455006 H -5.5211895131 -0.9617524614 0.6611204687 H -4.5810523189 -3.1881384959 1.1047512594 H -0.5125807554 -1.5181845119 1.1164319973 H 1.1184693955 -3.5501054845 -2.2996418785 H 1.5512268897 -1.9662307436 2.3559725846 H 3.2040765178 -3.9632557539 -1.0470920114 H 3.4255537422 -3.1857610595 1.2984498254 --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 Flumethrin CONF8 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 Flumethrin CONF8 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 Flumethrin CONF8 water 0 1