%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization famoxadone CONF17 gas 0 1 O 1.9743788973 -2.0496841362 1.2985976092 O 2.7204890901 -1.4000168561 -2.0427937675 O 3.1681604878 -0.4926537849 2.3908737178 O -3.7113414167 -0.7524320119 -1.1520895385 N 3.1006632103 -0.5910696002 0.0866037944 N 3.8587685210 0.4968176740 -0.2036803254 C 1.6188637898 -2.3287979696 -0.0591665950 C 0.1833578717 -1.9043382837 -0.3103291645 C 2.5418186628 -1.4166320485 -0.8624203806 C 1.8610786375 -3.7985649421 -0.3460522594 C 2.7753791100 -0.9838263572 1.3841730778 C -0.3387000702 -1.9562808942 -1.6018947723 C -0.6354807692 -1.4549267136 0.7172484114 C -1.6345346491 -1.5553944485 -1.8604006031 C -1.9420777412 -1.0587502893 0.4704208843 C -2.4418658003 -1.1010472369 -0.8234521292 C 3.2519083054 1.7570475103 -0.0997711911 C 1.8723166027 1.9200272400 -0.1681304052 C 4.0685804066 2.8788917360 0.0160888587 C -4.4266512782 0.0774008931 -0.3323608985 C 1.3277467166 3.1938599347 -0.1119808795 C 3.5112061773 4.1439158303 0.0682438122 C 2.1355346140 4.3128344174 0.0062046477 C -5.6514822607 -0.3674884705 0.1375735346 C -3.9679715724 1.3512612977 -0.0227450332 C -6.4264029819 0.4733698553 0.9230898607 C -4.7467192205 2.1777337863 0.7708779579 C -5.9757346962 1.7433949272 1.2474800635 H 1.2058159964 -4.4114961838 0.2708778826 H 2.8957556432 -4.0773666980 -0.1453418862 H 1.6479949630 -4.0158264739 -1.3906230674 H 0.2766288510 -2.2850030037 -2.4288434223 H -0.2726547560 -1.4135901325 1.7344481475 H 4.7896891812 0.4334565007 0.1792346066 H -2.0273373406 -1.5867571922 -2.8679356413 H -2.5579806345 -0.7234136735 1.2939767054 H 1.2097225746 1.0707484112 -0.2718828931 H 5.1449086008 2.7628279196 0.0660148922 H 0.2526319830 3.3049825209 -0.1644686890 H 4.1606892543 5.0041674304 0.1616054878 H 1.7015743730 5.3021186494 0.0495769981 H -5.9935864642 -1.3615491191 -0.1183528382 H -3.0137757230 1.6940536524 -0.4022078252 H -7.3847544516 0.1284198335 1.2873633578 H -4.3915648727 3.1705173527 1.0131154635 H -6.5800690373 2.3947500441 1.8639235766 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction famoxadone CONF17 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 famoxadone CONF17 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point famoxadone CONF17 gas 0 1