%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Isoprocarb CONF10 gas 0 1 O 0.8643505178 0.1563199466 0.7384951224 O 1.7184594266 1.2216178171 -1.0690992698 N 3.0485703224 0.1306435446 0.4263022894 C -0.8309257066 -1.8943477906 -0.2200449146 C -1.2961192583 -0.4641407416 -0.0499132129 C -1.6424508362 -2.6756346223 -1.2483518964 C -0.8365938564 -2.6190941050 1.1286996881 C -0.4238996918 0.5209917543 0.4066922546 C -2.6110052809 -0.0772717798 -0.2956728414 C -0.8263262942 1.8320127722 0.5941250051 C -3.0329371124 1.2297782458 -0.1106925346 C -2.1383246450 2.1890228325 0.3348811519 C 1.8744045446 0.5695449273 -0.0741972102 C 4.3110571731 0.3775300620 -0.2176612303 H 0.2004638684 -1.8724137892 -0.5829448904 H -1.6903032268 -2.1559969684 -2.2056558030 H -2.6643696969 -2.8609582520 -0.9127466799 H -1.1846130105 -3.6500727995 -1.4209992053 H -0.2130259058 -2.1104186904 1.8629155532 H -0.4647889204 -3.6398641439 1.0224620673 H -1.8491118830 -2.6730349885 1.5327733903 H -3.3242583416 -0.8091182850 -0.6507195132 H -0.1152926437 2.5684485426 0.9444034035 H -4.0610085435 1.4968589554 -0.3163387663 H -2.4564095936 3.2129994840 0.4777130535 H 3.0283716688 -0.4304924967 1.2596830509 H 4.7355761113 -0.5331957823 -0.6445036071 H 5.0295929909 0.7964061206 0.4874319938 H 4.1674626401 1.0934848615 -1.0217878438 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Isoprocarb CONF10 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 CONF10 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 CONF10 gas 0 1