%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Etofenprox CONF1 water 0 1 O -2.8034566446 1.6195638469 -0.6778987280 O 1.6519181895 -2.6721701462 -0.1021023518 O 2.0894985040 0.4502728467 0.8993791835 C -3.5728002719 -0.6300303885 -1.1084906879 C -3.7277589117 0.6357282255 -0.2600580613 C -2.1862350517 -1.2098210802 -0.8548214157 C -3.8106904763 -0.2998427302 -2.5822304405 C -4.6599178586 -1.6156062995 -0.6680928864 C -1.1684575207 -1.1848291355 -1.8068200780 C -1.8648822695 -1.7426129317 0.3919448399 C -2.3606447935 2.4779335658 0.3524879632 C 0.0996263520 -1.6738498472 -1.5343354100 C -0.6029593989 -2.2393475019 0.6868914473 C 0.3940464937 -2.2105770441 -0.2842175662 C -1.3054516342 1.8301165896 1.2112719921 C -0.0917370033 1.4618187748 0.6335103094 C -1.5338982910 1.5645228102 2.5556095453 C 0.8884043062 0.8642401601 1.4103324730 C -0.5514276410 0.9473248558 3.3203996234 C 2.0279403410 -3.1454968685 1.1852052062 C 0.6643175531 0.5998704477 2.7564975514 C 3.4843782246 -3.5325161920 1.1326153910 C 2.6960715440 1.1488692779 -0.1119257501 C 2.7627662637 2.5373370105 -0.1130109536 C 3.3093620485 0.4106795316 -1.1142047454 C 3.4340191394 3.1820171399 -1.1417022055 C 3.9863478768 1.0694441021 -2.1313438618 C 4.0453494220 2.4557361205 -2.1555595887 H -4.7516874971 1.0226490590 -0.3553060920 H -3.5818876599 0.3785565189 0.7960035313 H -3.7225146879 -1.1918146975 -3.2048892385 H -4.8208277304 0.0922965345 -2.7139138064 H -3.1199179910 0.4452718230 -2.9760367703 H -4.6103360586 -1.8500061743 0.3955799881 H -4.5784382243 -2.5530202774 -1.2198689963 H -5.6510992844 -1.2013652285 -0.8628447743 H -1.3487518701 -0.7769508814 -2.7922629608 H -2.6088922834 -1.7713860455 1.1785441317 H -3.1958112826 2.8181218397 0.9759592283 H -1.9476374857 3.3614281763 -0.1393759278 H 0.8682350860 -1.6383977817 -2.2971070562 H -0.4195275469 -2.6375705630 1.6754049179 H 0.0803564409 1.6515440816 -0.4195996697 H -2.4787225296 1.8420726643 3.0061039675 H -0.7309749868 0.7398559057 4.3670925470 H 1.4143874357 -4.0081240074 1.4644669058 H 1.8658157903 -2.3679237850 1.9387715529 H 1.4357501204 0.1265557422 3.3506728546 H 3.7933481504 -3.9071808804 2.1080087364 H 3.6641302209 -4.3205545767 0.4009964670 H 4.1163352917 -2.6782990274 0.8870720161 H 2.2999094923 3.1157613711 0.6764079299 H 3.2620048830 -0.6703238564 -1.0964953924 H 3.4829647142 4.2630094673 -1.1435073645 H 4.4632168569 0.4905440677 -2.9113372929 H 4.5677270245 2.9665048464 -2.9532287649 --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 Etofenprox CONF1 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 Etofenprox CONF1 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 Etofenprox CONF1 water 0 1