%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Isoprocarb CONF14 gas 0 1 O 0.8910485216 0.4274784720 0.7761030894 O 1.6383545916 0.7622771071 -1.3340606981 N 3.0528971923 0.2380759513 0.3766108386 C -0.6688029421 -1.8234743205 -0.0386100558 C -1.2135509833 -0.4121330740 -0.0052842196 C -1.3890243529 -2.7262368597 -1.0350568853 C -0.7017509100 -2.4344081082 1.3646085138 C -0.4129601097 0.6588176506 0.3852587692 C -2.5411183387 -0.1245785419 -0.3097511085 C -0.8961237909 1.9528026677 0.4564222919 C -3.0450006062 1.1650185513 -0.2379687165 C -2.2211240684 2.2096965315 0.1463233575 C 1.8530786039 0.5025272138 -0.1822233530 C 4.2818701323 0.2406919930 -0.3706916312 H 0.3742112443 -1.7804907647 -0.3615792205 H -0.8757105919 -3.6857665712 -1.1039592236 H -1.4102844062 -2.2877468893 -2.0328010472 H -2.4166021416 -2.9379516033 -0.7349380626 H -1.7283762781 -2.5132832395 1.7265163291 H -0.1431607375 -1.8318915824 2.0801675058 H -0.2707816983 -3.4371464525 1.3616545865 H -3.2014120834 -0.9237885240 -0.6190715591 H -0.2336239218 2.7530888322 0.7595863068 H -4.0820333557 1.3508111246 -0.4841261922 H -2.6028667359 3.2202950922 0.2013439701 H 3.0821238416 0.0393811067 1.3611300250 H 4.0640804625 0.4589881670 -1.4121015430 H 4.7771431246 -0.7301522396 -0.3220610863 H 4.9722914416 1.0003339071 -0.0006254932 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Isoprocarb CONF14 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 Isoprocarb CONF14 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Isoprocarb CONF14 gas 0 1