%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Cadusafos CONF769 gas 0 1 S 1.7013209191 0.6845730297 -0.6894998611 S -0.7118654895 -1.5178236672 -0.4892229093 P -0.2013825442 0.3990410343 0.1025716219 O -1.1081581094 1.3043751525 -0.8675681137 O -0.3224906591 0.6799578323 1.5518634615 C 2.7443657265 0.2709825864 0.7774224744 C -2.2819871750 -1.7419440718 0.4635907549 C 4.1092736261 0.9213369358 0.5700931798 C -3.2131253731 -2.6216298773 -0.3646641085 C 2.8472592643 -1.2316541276 0.9644886998 C -1.9777342697 -2.3282641916 1.8293793294 C 4.0917715419 2.4419459864 0.5479082106 C -3.6859348133 -1.9889727712 -1.6637779087 C -1.1689227029 2.7217016062 -0.6462317666 C -2.3295647174 3.0890776730 0.2490537200 H 2.2538059492 0.7232406282 1.6409498960 H -2.7390638580 -0.7561620891 0.5767976838 H 4.5676219605 0.5313753261 -0.3434452918 H 4.7462597865 0.5793957662 1.3913481246 H -2.7276440768 -3.5817103938 -0.5633329717 H -4.0778800188 -2.8510800541 0.2654566341 H 1.8719649191 -1.6864538156 1.1293529555 H 3.4695553601 -1.4553696927 1.8335167912 H 3.2968564711 -1.7080603380 0.0930465435 H -2.9019344391 -2.4526324309 2.3979188945 H -1.3171930099 -1.6760964405 2.3963014441 H -1.5043467453 -3.3063823230 1.7391587796 H 3.6381643741 2.8423272580 1.4554966827 H 3.5290066782 2.8303610289 -0.3001621109 H 5.1047395515 2.8382262731 0.4817208777 H -4.1912669841 -1.0401731581 -1.4774495430 H -4.3893917207 -2.6422922729 -2.1791339096 H -2.8563350158 -1.7904101150 -2.3411283602 H -1.2809403655 3.1663679110 -1.6352892124 H -0.2254076504 3.0885144116 -0.2313598120 H -2.3938084860 4.1735957458 0.3413777673 H -3.2728719033 2.7336527309 -0.1641419445 H -2.2039982297 2.6708312010 1.2461760542 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Cadusafos CONF769 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 Cadusafos CONF769 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Cadusafos CONF769 gas 0 1