%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cypermethrin-theta CONF5 water 0 1 Cl 3.6885566477 -1.0115496843 -1.9507971890 Cl 4.9913025047 -0.6627689756 0.5994230228 O -2.2115625527 -1.3154548771 1.1479563413 O -1.6365611105 -1.1256610192 -1.0024220388 O -1.3134309629 3.6075599798 0.7150870640 N -4.7904726723 -2.3185858380 -0.8144260183 C 0.5712886130 -3.1832262603 -0.0554729137 C 1.1799242658 -1.8264858575 -0.2636523729 C -0.0545564070 -1.9621331981 0.5985727529 C -0.0965006198 -3.8492127643 -1.2319176214 C 1.2411922712 -4.1591580488 0.8800961919 C 2.4416615363 -1.4530061365 0.3942131315 C -1.3373052091 -1.4248880658 0.1254836154 C 3.5519142191 -1.0985591556 -0.2378077533 C -3.4921003479 -0.7861333286 0.8637872624 C -3.4725248508 0.6702607284 0.4395049110 C -4.1951619318 -1.6366155739 -0.1052149685 C -2.3941735654 1.4665212979 0.7938110887 C -4.5492673673 1.2202356499 -0.2463982328 C -2.3721923840 2.7971864333 0.4009140841 C -4.5302593826 2.5632187163 -0.5903813262 C -3.4361287935 3.3583780736 -0.2861523775 C -0.0347310554 3.1386045071 0.5275014480 C 0.9307067826 3.5745907260 1.4231490776 C 0.3037759897 2.3080670873 -0.5353114240 C 2.2505188811 3.1823395388 1.2472393943 C 1.6260799084 1.9204048138 -0.6932138606 C 2.6041557305 2.3516192195 0.1934056768 H 1.0141158876 -1.4010135182 -1.2477714176 H 0.0941400852 -1.8932172684 1.6701894800 H -0.9404072194 -4.4586729506 -0.9045124697 H 0.6178564894 -4.5123506582 -1.7228406095 H -0.4532723895 -3.1460600584 -1.9811864633 H 1.6439520017 -3.6851758351 1.7742505899 H 2.0610710620 -4.6684735841 0.3707169523 H 0.5288742807 -4.9195142321 1.2032431055 H 2.4769331065 -1.4757801303 1.4769847434 H -4.0414228480 -0.8771635864 1.8054217766 H -1.5627926517 1.0657445937 1.3601602141 H -5.4041587924 0.6142796590 -0.5184879714 H -5.3686860125 2.9900036086 -1.1238275498 H -3.4062772527 4.3989178057 -0.5814095372 H 0.6518915742 4.2196773823 2.2465801409 H -0.4436627970 1.9683322914 -1.2407968635 H 3.0027594459 3.5249984617 1.9455616332 H 1.8888782939 1.2807917199 -1.5255111407 H 3.6332821381 2.0458708047 0.0614716952 --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-theta CONF5 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-theta CONF5 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-theta CONF5 water 0 1