%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cyflumetofen CONF541 water 0 1 F -3.6888472593 1.4684422436 -0.4935965657 F -4.7457230910 0.6895215134 1.1992348920 F -3.3272142926 -0.5496113630 0.1704389837 O -1.2679863179 -2.1220196013 -1.5177074714 O -0.9996142230 0.8402106186 -1.1766822575 O 0.7730372506 -1.6578463222 -2.3226685053 O -3.3021566276 -0.8311775169 -3.0163561191 N -0.7900869045 -2.4898821618 1.7751475159 C 5.7963423278 0.5125599761 0.6361776379 C 4.3329531159 0.1170442857 0.4867614172 C 6.5363734513 0.1694729428 -0.6627382057 C 5.8957380477 2.0208035091 0.8938877663 C 6.4791770510 -0.2176416651 1.7903302518 C 0.1589805513 -0.9373756381 -0.0925174047 C 1.6222705533 -0.5799412069 0.1268111073 C 3.7249934321 -0.8562529552 1.2720438191 C 3.5437221324 0.7335858826 -0.4882134165 C 2.3900469505 -1.2016409910 1.0985049210 C 2.2155201761 0.3978565402 -0.6701021434 C -0.7058713276 0.3552950713 -0.1180024178 C -0.0556676640 -1.6240312143 -1.4593772849 C -1.1108071871 0.9537876675 1.1876395173 C -0.3612860046 -1.8079288082 0.9544661076 C -2.4584366600 1.1765399264 1.5038221115 C -0.1241603656 1.3432529178 2.0858287715 C -2.7879441240 1.7995655709 2.6973792779 C -3.5570653184 0.7017454756 0.5949176574 C -1.7606641722 -2.6241174427 -2.7755063905 C -0.4642119699 1.9757145089 3.2724601742 C -1.7932432216 2.2074524813 3.5751505637 C -2.2450269094 -1.5026057470 -3.6572467685 C -3.6889371275 0.3377063910 -3.7012929631 H 7.5892650173 0.4475035078 -0.5830459710 H 6.4895299609 -0.9002328286 -0.8745411720 H 6.1215784968 0.6986156297 -1.5218651028 H 6.9417373693 2.3155589791 0.9990229737 H 5.3770059021 2.3014728368 1.8121407555 H 5.4729029389 2.6080943822 0.0779646786 H 6.0062056146 -0.0017143620 2.7500852210 H 7.5199480069 0.1023130518 1.8603614977 H 6.4820958798 -1.3000379594 1.6507948015 H 4.2821482792 -1.3715232140 2.0418144377 H 3.9693700722 1.4951709528 -1.1293370960 H 1.9681954499 -1.9652893869 1.7391236871 H 1.6538038475 0.9142260171 -1.4372463952 H 0.9191194825 1.1810129133 1.8553921570 H -3.8210831542 1.9696322593 2.9651378050 H -2.5754170655 -3.2934025933 -2.5058005426 H -0.9948839470 -3.2053334569 -3.2883539346 H 0.3157836261 2.2852619366 3.9541799149 H -2.0664702637 2.6995370858 4.4985010430 H -1.4243376643 -0.8142404307 -3.8964885067 H -2.5702576284 -1.9481690204 -4.6069801273 H -2.8837987301 1.0795817930 -3.7329031070 H -3.9947527224 0.1268873146 -4.7316136210 H -4.5391735801 0.7709804338 -3.1772626201 --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 Cyflumetofen CONF541 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 Cyflumetofen CONF541 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 Cyflumetofen CONF541 water 0 1