%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Ethion CONF161 gas 0 1 S -0.5009973919 -1.2838908781 0.7793534567 S 0.3816861283 1.6448967104 0.6036267118 S -3.5103573250 0.1198606755 1.5014479268 S 3.3130220811 -0.0228807148 1.1383430615 P -2.4609061281 -0.7851276670 0.1807080681 P 2.2450775918 1.0100172495 -0.0851360115 O -2.3599116269 0.0102114664 -1.1897924943 O -2.9296387911 -2.2393390148 -0.3084223159 O 1.8633540680 0.3105545233 -1.4712588154 O 2.8820547730 2.3916048588 -0.5906691360 C -0.0523105331 0.2326484682 1.6562189350 C -1.5893859273 -0.4312801215 -2.3165198816 C -3.3964859777 -3.2128094854 0.6381812073 C 2.8297886341 -0.4863927067 -2.1758562926 C 3.8399060910 3.1260142507 0.1833996131 C -1.2327606790 0.7764143594 -3.1471998229 C -4.9033787103 -3.3032156165 0.6082033436 C 2.5487309195 -1.9572573575 -1.9816627738 C 3.2295640091 3.8123552960 1.3836562254 H -0.8915187331 0.5594402628 2.2722341797 H 0.7920858176 -0.0155698500 2.2990814185 H -0.6808942149 -0.9351678717 -1.9775473694 H -2.1847024406 -1.1474939358 -2.8868132428 H -2.9348531564 -4.1580461752 0.3512985999 H -3.0467366765 -2.9677621343 1.6448647705 H 2.7449024320 -0.1976200629 -3.2238649802 H 3.8448644079 -0.2468588671 -1.8487632516 H 4.6447554195 2.4555379344 0.4934740487 H 4.2551626933 3.8548085124 -0.5118809256 H -0.6648857213 0.4602404539 -4.0226686430 H -2.1226524609 1.3005720924 -3.4941392731 H -0.6168841212 1.4693781769 -2.5768938501 H -5.2360503572 -4.0953112574 1.2798776825 H -5.3561560947 -2.3685042092 0.9358482645 H -5.2667715118 -3.5360109200 -0.3921664919 H 1.5373462915 -2.2132923741 -2.2965603907 H 3.2462256269 -2.5470878493 -2.5772017285 H 2.6667053704 -2.2420796522 -0.9373201008 H 2.3988302678 4.4576494075 1.1004920791 H 2.8730567025 3.0921412560 2.1192667283 H 3.9877446347 4.4297890749 1.8663125889 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Ethion CONF161 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 Ethion CONF161 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Ethion CONF161 gas 0 1