%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Isoprocarb CONF12 gas 0 1 O 0.7421124772 0.1942633539 -0.6518471557 O 1.6954303382 1.0959494381 1.1973650830 N 2.9150308180 -0.0301263269 -0.3642928593 C -1.1793815419 -1.9210460968 -0.1786219605 C -1.4719880637 -0.4406459933 -0.0535219511 C -0.1109030818 -2.4277398111 0.7913797163 C -0.8770599517 -2.3355176242 -1.6186591776 C -0.5280393402 0.5616071214 -0.2654806658 C -2.7636791369 -0.0295344719 0.2693834744 C -0.8513742460 1.9052370793 -0.1626965134 C -3.1046957620 1.3077504790 0.3836535685 C -2.1429017771 2.2802891481 0.1639906547 C 1.7865832564 0.4839743794 0.1692704564 C 4.2086390413 0.1176277465 0.2482772494 H -2.1102471477 -2.4244645519 0.1014213787 H -0.1222674335 -3.5187263302 0.8169062702 H -0.2890768894 -2.0699412271 1.8052046486 H 0.8945062887 -2.1269103279 0.5006960395 H 0.0568291834 -1.9049141810 -1.9769218048 H -1.6712709613 -2.0199819348 -2.2955315410 H -0.7906232531 -3.4212310758 -1.6904679546 H -3.5201454777 -0.7863550477 0.4396849983 H -0.0947228693 2.6572014456 -0.3401306708 H -4.1179438325 1.5873904560 0.6394380945 H -2.3926726924 3.3294506358 0.2467330987 H 2.8451790752 -0.5195239677 -1.2391125740 H 4.1021972223 0.6758137534 1.1738216280 H 4.8964838977 0.6612685667 -0.4011480742 H 4.6486248338 -0.8522710415 0.4842144351 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Isoprocarb CONF12 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 CONF12 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 CONF12 gas 0 1