%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization triclopyricarb CONF15 gas 0 1 Cl 1.8089801880 -2.0837816859 2.4677049042 Cl 4.3539606471 2.1207884286 0.2675449159 Cl 2.3224666069 1.9188004928 -2.1576134188 O 0.1961551850 -1.8693551246 0.0684658301 O -2.1999192201 0.7194532189 1.7144862267 O -1.3984404519 2.2586503921 -0.1147334950 O -2.1054984594 0.8503035332 -1.7196788640 N -2.0287316325 0.1945022414 0.4553966132 N 1.2781665417 -0.0758831122 -0.8722604918 C -2.1164272213 -2.0532128338 -0.4879750236 C -2.7244020937 -1.0209560319 0.2290718493 C -0.7229607441 -1.9358286623 -1.0284660445 C -2.8289932025 -3.2280828716 -0.6906214559 C -3.9978801923 -1.1890588602 0.7561200100 C -4.1063938025 -3.3948688553 -0.1809544644 C -4.6861676011 -2.3735719540 0.5530342407 C 1.1404260830 -0.9492184120 0.0972177370 C -1.8734115930 1.1082828936 -0.5683727165 C 2.0025333938 -0.9379422092 1.2066608485 C 2.9915923490 0.0156355340 1.2588438160 C -1.0733790561 0.4585290181 2.5310865452 C 3.1210263800 0.9323875934 0.2209612729 C 2.2234759444 0.8333339485 -0.8291705056 C -1.1619553056 3.2599585336 -1.0953970254 H -0.4734599738 -2.8311779659 -1.6018926318 H -0.6085291074 -1.0781436346 -1.6884626265 H -2.3656305932 -4.0344116178 -1.2459766671 H -4.4529416538 -0.3894665733 1.3240085589 H -4.6392010710 -4.3214090807 -0.3465108540 H -5.6798504168 -2.4923703274 0.9638335723 H 3.6685839703 0.0521753425 2.1010915417 H -0.1803147055 0.9674494227 2.1608478746 H -1.3248528525 0.8568170599 3.5127388572 H -0.8744081862 -0.6119230746 2.6225121999 H -0.7658220063 4.1144487985 -0.5532598191 H -2.0820525712 3.5483383103 -1.6040348370 H -0.4353054374 2.9315518394 -1.8373269824 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction triclopyricarb CONF15 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 triclopyricarb CONF15 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point triclopyricarb CONF15 gas 0 1