%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Spirotetramat CONF14 water 0 1 O 6.0181235057 0.0405375592 0.3046993747 O 0.1034801488 1.3970310259 -0.6308219401 O -0.0341828944 -3.2573457748 0.2330903408 O -1.4366566584 1.7415667603 0.9115548270 O -1.4484160497 2.9194548540 -1.0023464043 N 1.6208562892 -1.6663927790 0.2649476708 C 1.7827284389 -0.2614022060 -0.0497356830 C 2.4073319038 0.5234831040 1.1108091163 C 2.6144374482 -0.0636938263 -1.3250596953 C 3.8735685807 0.1596608302 1.3139385433 C 4.0760500797 -0.4348939056 -1.1068571685 C 4.6714587892 0.3781993060 0.0381399054 C 0.3503814270 0.1190646393 -0.2621363924 C -0.4910771631 -0.9101211476 -0.1297027643 C 0.3476006463 -2.0966746466 0.1499056481 C -1.9490222102 -0.9226651236 -0.2939468596 C 6.9296745561 0.5052351873 -0.6653389953 C -2.7943414139 -1.3235404793 0.7514819784 C -2.4900895618 -0.4412204719 -1.4835740346 C -1.0107748616 2.0749409444 -0.2740092362 C -3.8645693090 -0.3333978811 -1.6766429565 C -4.1658625762 -1.2279238058 0.5463858359 C -2.2645847565 -1.7933624344 2.0736115279 C -4.6961140956 -0.7418921910 -0.6411959961 C -4.4111343538 0.2207707698 -2.9578440755 C -2.6692920727 2.3546752024 1.3621784028 C -2.9642246366 1.8467345245 2.7470171220 H 1.8380862427 0.3435482777 2.0244103036 H 2.3300580886 1.5913153706 0.8904033187 H 2.5532752527 0.9859271682 -1.6235370376 H 2.1841522042 -0.6535018319 -2.1365018990 H 4.2825253328 0.7738285539 2.1192014263 H 3.9671838735 -0.8840282527 1.6317995073 H 4.1764465069 -1.5027379058 -0.8846713910 H 4.6185053326 -0.2578214601 -2.0377435855 H 4.6091956436 1.4457348584 -0.2299678200 H 2.4025903041 -2.3031737311 0.3101981223 H 6.8154380219 0.0079783221 -1.6334733843 H 6.8365547603 1.5854151203 -0.8270381269 H 7.9360918746 0.3008285756 -0.3006654959 H -1.8204983077 -0.1424856122 -2.2832205024 H -4.8375410666 -1.5218495680 1.3442357922 H -3.0345874406 -1.7321055286 2.8417348739 H -1.9349055111 -2.8320422529 2.0345284587 H -1.4139490779 -1.1970924773 2.4074121851 H -5.7712525989 -0.6702721299 -0.7545143787 H -5.4958720354 0.3120128820 -2.9219829581 H -3.9996268488 1.2099289434 -3.1646760443 H -4.1588156796 -0.4134114991 -3.8090898393 H -3.4660909408 2.0930281410 0.6640468524 H -2.5453273539 3.4380112829 1.3615942234 H -3.8831566135 2.3165553588 3.0965101073 H -2.1716102647 2.1026194852 3.4496319498 H -3.1167365002 0.7686649443 2.7636236047 --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 Spirotetramat CONF14 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 Spirotetramat CONF14 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 Spirotetramat CONF14 water 0 1