%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Fenobucarb CONF30 gas 0 1 O -0.9801209469 -0.5147609116 0.9824524306 O -1.7360091155 -0.3848158230 -1.1490338022 N -3.0293883741 0.2306285773 0.6129814731 C 1.1350822010 1.3438702838 0.2814061700 C 1.1041657479 1.8888242781 -1.1532868037 C 1.2830317261 -0.1602300997 0.2572201921 C 2.2195320486 2.0004420686 1.1364336347 C 0.2330364357 -1.0209525907 0.5590892666 C 0.8087827261 3.3797545397 -1.2375629914 C 2.4961390222 -0.7467976955 -0.1002442393 C 0.3753232007 -2.3981003539 0.5101385985 C 2.6568869998 -2.1205964597 -0.1542812449 C 1.5915940125 -2.9527249186 0.1541749239 C -1.9054384379 -0.2327035896 0.0301286713 C -4.1591071311 0.6610949400 -0.1692085086 H 0.1756234053 1.5902586609 0.7442260815 H 0.3486256672 1.3366490385 -1.7154186605 H 2.0609933449 1.6758874665 -1.6406919474 H 2.0210654334 3.0635009545 1.2725051339 H 2.2663454442 1.5463364920 2.1263337591 H 3.2084578893 1.9109558914 0.6829417077 H -0.1267538946 3.6265879711 -0.7313489320 H 1.5971917193 3.9851670104 -0.7894742615 H 0.7099699331 3.6961282051 -2.2761467771 H 3.3369837444 -0.1102723076 -0.3470438687 H -0.4693632750 -3.0287901682 0.7550367811 H 3.6132528832 -2.5410542159 -0.4356357524 H 1.7043013518 -4.0277899773 0.1147550743 H -3.0330610068 0.3715016973 1.6072451365 H -4.3528787934 -0.0410374933 -0.9775100771 H -4.0140806314 1.6512234458 -0.6073475238 H -5.0386607131 0.6933536853 0.4703718097 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Fenobucarb CONF30 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 Fenobucarb CONF30 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Fenobucarb CONF30 gas 0 1