%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Indoxacarb CONF260 octanol 0 1 Cl -4.2051690892 -4.1420009394 4.2935131753 F -0.6041721733 6.4891241094 -2.2930676065 F 0.8226812968 8.0986058112 -2.3884929712 F 0.4463154739 7.0873119123 -0.5247349068 O 1.4758721025 -3.5660028067 -0.6067422575 O -1.9417831850 -3.9693353897 -1.4389399059 O -0.1120156861 -4.7253344688 -2.4768738172 O 2.9263823754 0.0439971729 -1.6824131433 O 1.9147988161 -0.2292456506 1.8497925791 O 0.5690376262 1.5641447098 1.8971460714 O 1.5839237324 6.1007884224 -2.1631678133 N 0.2068787587 -1.2282702929 0.0155131530 N 1.3262981130 -1.2345975510 -0.7421333189 N 1.6608071365 0.9693888334 -0.0193796602 C 0.1115534613 -3.6645397650 -0.3245651291 C -0.2080965529 -4.6101514527 0.8582113998 C -0.3891130716 -2.3348587016 0.1856469126 C -1.3474199404 -3.9117837885 1.5538184838 C -1.4392778725 -2.5776545710 1.1597410656 C -0.6483562873 -4.1721478239 -1.5554290832 C 1.7525624699 -2.4526281782 -1.4172377589 C -2.1962291119 -4.4135759829 2.5219705928 C -2.3615777237 -1.7154158924 1.7288042461 C -3.1277268514 -3.5449434741 3.0779929869 C -3.2212689445 -2.2106910112 2.6964353205 C 2.0477531536 -0.0829880588 -0.8590374792 C -2.7919613422 -4.4841114734 -2.4701195201 C 1.6398894965 2.2798101141 -0.5666651699 C 1.2974961595 0.8045496414 1.3145629258 C 0.9120615088 2.5333098313 -1.7205234820 C 2.3491954497 3.3012435373 0.0507424207 C 0.8898250244 3.8081315302 -2.2620254245 C 2.3061974409 4.5844843191 -0.4668678602 C 1.5756448152 4.8221893868 -1.6178553659 C 1.4738115767 -0.6465308921 3.1418530671 C 0.5749065956 6.9204563540 -1.8407361885 H -0.4409249637 -5.6302308769 0.5505229744 H 0.6654512213 -4.6557910407 1.5142879096 H 2.8275430484 -2.4204203758 -1.5728398745 H 1.2570182035 -2.5212088830 -2.3908602474 H -2.1345425654 -5.4448092284 2.8444804257 H -2.4237953200 -0.6793762801 1.4221803557 H -3.9603694804 -1.5642118527 3.1496746762 H -3.8050214711 -4.2319986262 -2.1717308360 H -2.5712059698 -4.0204627311 -3.4309438572 H -2.6983114320 -5.5663399000 -2.5542467103 H 0.3537108692 1.7405554421 -2.2018254171 H 2.9396693141 3.1027819344 0.9359521846 H 0.3424067997 3.9990695503 -3.1753364763 H 2.8590411926 5.3831626858 0.0099650845 H 0.4020181174 -0.8470312654 3.1524483517 H 2.0124842768 -1.5652948659 3.3565663564 H 1.7139299034 0.0975982679 3.9011453853 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction Indoxacarb CONF260 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Indoxacarb CONF260 octanol 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Indoxacarb CONF260 octanol 0 1