%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Pyridaben CONF32 water 0 1 Cl -1.7932496102 -2.6921836446 1.9697232563 S -0.1342642129 -3.3550507778 -0.7662463564 O -2.8343214205 -0.0001480684 1.9784046471 N -2.0137262225 0.6641701619 -0.0583257428 N -1.3985018162 0.3823196749 -1.1958478830 C 2.9980767845 2.4418294473 -0.7520562092 C -2.4506759423 2.0964365312 0.1045807327 C 2.6323764601 1.0006458713 -0.4203065836 C 4.5227253091 2.5713823573 -0.8457523078 C 2.3687441902 2.8207796434 -2.0984952753 C 2.4915860656 3.4254095696 0.3016899841 C -1.7509632901 2.7074924863 1.3197624204 C -3.9721277957 2.1694813485 0.2302188610 C -2.0356336523 2.8980601827 -1.1252638634 C 1.9661603539 0.6393930059 0.7461514942 C 2.9579405057 -0.0248988774 -1.3152768247 C 1.8936346387 -1.6832681317 0.0777933222 C 1.6021332326 -0.6799749653 0.9915367259 C 2.5927988026 -1.3376053710 -1.0774548690 C -2.2229066130 -0.2544656992 0.9498535282 C 1.3637096851 -3.0638352075 0.2765582379 C -0.9732899305 -1.8403574613 -0.4443458442 C -1.6392835804 -1.5648814609 0.6999375207 C -0.9082746415 -0.7917488782 -1.3988543615 H 4.9988643512 2.3215428827 0.1043858807 H 4.9431173068 1.9180297715 -1.6117662699 H 4.8031520094 3.5961447693 -1.0981648940 H 2.7277794823 2.1917116392 -2.9138804728 H 1.2806538567 2.7321831618 -2.0634230042 H 2.6104595959 3.8546735331 -2.3531355935 H 1.4042752964 3.3947089686 0.4015611673 H 2.9252230726 3.2390495964 1.2857287560 H 2.7629733452 4.4425200663 0.0149258647 H -1.9953115323 3.7690208980 1.3643053931 H -0.6664386233 2.6237874178 1.2284297895 H -2.0533791727 2.2640630057 2.2644071987 H -4.2679463250 3.2176457330 0.2816830786 H -4.3556164324 1.6781840362 1.1199251616 H -4.4573842542 1.7327522604 -0.6435702238 H -2.5076855872 2.5440210652 -2.0403332995 H -0.9561072035 2.9110442617 -1.2751975024 H -2.3581177410 3.9267272183 -0.9634123193 H 1.7009408817 1.3857074095 1.4825594238 H 3.4956435839 0.2035255345 -2.2276545901 H 1.0693508100 -0.9210692887 1.9041398764 H 2.8372796919 -2.1009744937 -1.8069619115 H 2.0644227473 -3.8314591375 -0.0531362523 H 1.1123618387 -3.2583098163 1.3179041936 H -0.4145383892 -0.9452657824 -2.3483018564 --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 Pyridaben CONF32 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 Pyridaben CONF32 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 Pyridaben CONF32 water 0 1