%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Cyphenothrin_RR CONF18 gas 0 1 O -1.2497452025 1.2872954218 1.2108761694 O -0.9360368117 2.4920667026 -0.6508147527 O -1.3895624149 -3.0763415574 -1.3364009620 N -3.8962521983 0.7759857868 3.1430798524 C 1.9188830138 1.1451677588 -0.3121985137 C 1.9889588801 2.6155493158 -0.0377129556 C 0.9433800287 1.7935768343 0.6646833908 C 1.4472708382 0.6782238137 -1.6672705755 C 2.9363816112 0.2240198790 0.3141561015 C 3.0841915508 3.2341350001 0.7547592227 C -0.4776966366 1.9309517168 0.3038044300 C 4.3255322533 3.4319134492 0.3097771647 C 4.7787070739 3.0355644525 -1.0617806915 C 5.3689941444 4.0831395108 1.1655623593 C -2.6187001786 1.1607262236 0.8958021341 C -2.8988710791 0.0021228813 -0.0425805862 C -3.3138684175 0.9468390316 2.1679290096 C -1.9612788581 -1.0055465952 -0.2196132506 C -4.1225205270 -0.0479668280 -0.6915522344 C -2.2593716944 -2.0698508201 -1.0620213406 C -4.4105642632 -1.1215374218 -1.5196814974 C -3.4880407666 -2.1344217864 -1.7081299274 C -0.2796555492 -3.2794395881 -0.5650048659 C 0.9573027303 -3.2604214481 -1.1906091426 C -0.3826092188 -3.5610011652 0.7912758306 C 2.1006165385 -3.5304994158 -0.4524513588 C 0.7679784211 -3.8154431832 1.5204113954 C 2.0119479784 -3.8018221533 0.9042926647 H 1.5870635291 3.2368997338 -0.8348733553 H 1.1213312134 1.5496094599 1.7066891201 H 0.9714649707 -0.3020031279 -1.5995507509 H 0.7441946170 1.3622509728 -2.1364907444 H 2.3060719166 0.5777041746 -2.3344227195 H 3.8172195974 0.1397381010 -0.3253078268 H 3.2744953174 0.5754759017 1.2875508317 H 2.5189869645 -0.7766243591 0.4377703909 H 2.8355549241 3.5641695077 1.7591889406 H 5.6193557730 2.3394041782 -1.0073377320 H 3.9920040020 2.5673309231 -1.6496830644 H 5.1355756930 3.9071286099 -1.6159260969 H 6.2263263802 3.4208791659 1.3094390991 H 5.7532800696 4.9912765932 0.6948969099 H 4.9840212004 4.3523609559 2.1482369473 H -3.0042463798 2.0848196057 0.4508973576 H -1.0090378821 -0.9636353572 0.2915850999 H -4.8503136043 0.7415124474 -0.5516476214 H -5.3647457069 -1.1695224860 -2.0266523365 H -3.7052917386 -2.9713584148 -2.3582431297 H 1.0172214244 -3.0477071764 -2.2499926764 H -1.3524485279 -3.5846774634 1.2717417001 H 3.0649580007 -3.5209683037 -0.9428376808 H 0.6884738143 -4.0334123702 2.5770232761 H 2.9053449528 -4.0077565586 1.4779342145 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Cyphenothrin_RR CONF18 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Cyphenothrin_RR CONF18 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Cyphenothrin_RR CONF18 gas 0 1