%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cypermethrin-zeta CONF35 water 0 1 Cl -2.1581268274 -0.0549918858 -1.5799087862 Cl -4.2128549968 0.0904844988 0.4397108322 O 2.0954919418 2.0391558593 -0.1654932295 O 2.2391370823 1.9346551887 2.0585916098 O 0.5040392099 -2.7090004535 -0.9675251990 N 4.0945133670 1.5113658489 -2.7389850366 C -0.4421968634 3.7063086746 0.1935027773 C -0.7862406087 2.2543293347 0.0464942948 C 0.2162908744 2.6971370906 1.1086127516 C 0.3111571276 4.3736995576 -0.9312322656 C -1.4125758946 4.6432282640 0.8742170878 C -2.0609274311 1.6784484747 0.4863709263 C 1.6033081007 2.2097840586 1.0701298980 C -2.7072454997 0.6976295950 -0.1324679486 C 3.2685820394 1.2418734610 -0.2750818645 C 2.9603511196 -0.2087443803 0.0128936890 C 3.7185415417 1.4080619499 -1.6574194562 C 1.8705047406 -0.8066592217 -0.6126104218 C 3.7251463433 -0.9206921479 0.9230300079 C 1.5601942199 -2.1201075260 -0.3150819481 C 3.4045845403 -2.2429126540 1.2037804604 C 2.3199122777 -2.8487899603 0.5914944297 C -0.6428884636 -2.9738027967 -0.2646355028 C -0.9401759351 -2.3845307035 0.9579872046 C -1.5348165406 -3.8576161605 -0.8601791229 C -2.1429110897 -2.6921245162 1.5807565456 C -2.7320151920 -4.1505614937 -0.2258463117 C -3.0422899540 -3.5741006390 0.9995777637 H -0.3438970784 1.7811126411 -0.8218260286 H -0.1594016667 2.7106413128 2.1253610835 H -0.4015404591 4.8769157819 -1.5869521375 H 0.8813017030 3.6813705992 -1.5453725323 H 0.9938515641 5.1327320448 -0.5447746439 H -2.1852481401 4.9653268108 0.1743418655 H -0.8872891555 5.5345149614 1.2208524319 H -1.9050739386 4.1995303406 1.7384663738 H -2.5147185270 2.0699910582 1.3889564131 H 4.0684675337 1.6051268315 0.3774652674 H 1.2607416791 -0.2616162899 -1.3244045157 H 4.5654261051 -0.4473671737 1.4143510882 H 4.0002302103 -2.8024235947 1.9122068719 H 2.0659386447 -3.8777234225 0.8134355523 H -0.2605103046 -1.6851671843 1.4274445982 H -1.2923811832 -4.3075482230 -1.8151156495 H -2.3746227247 -2.2293927001 2.5312466018 H -3.4233074911 -4.8394765536 -0.6938494197 H -3.9764767710 -3.8072453596 1.4927120965 --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 Cypermethrin-zeta CONF35 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 Cypermethrin-zeta CONF35 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 Cypermethrin-zeta CONF35 water 0 1