%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization indaziflam CONF24 gas 0 1 F 4.6487779923 0.4626879093 -2.1892573075 N -0.1816222347 -0.4473838615 0.8331381888 N 1.6589824243 0.2801293855 -0.3509222329 N 1.7629269496 -1.5975819605 1.0876272839 N 3.6907423211 -0.8885042564 -0.0989235539 N 3.7552461730 -2.6966758881 1.2890664545 C -1.3467389609 1.7111977899 1.3586241666 C -1.0700118257 0.5741114704 0.3496237601 C -2.7386937235 2.2302263282 0.9629178734 C -2.4529722420 0.0624820444 0.0362528823 C -3.4034600644 1.0140430649 0.3826450826 C -0.2608345200 2.7678427547 1.4141231226 C -2.8205188369 -1.1435579010 -0.5303038783 C -4.7436416069 0.7575113607 0.1559174164 C -4.1686668884 -1.4184393758 -0.7572362675 C -5.1143756837 -0.4562564743 -0.4095452047 C 1.1168035581 -0.5845824945 0.5131832878 C -4.5941009641 -2.7363641961 -1.3383163048 C 2.9388163230 0.0615812876 -0.6068051476 C 3.0400346988 -1.7014881979 0.7459522061 C 3.5903492127 1.0547488256 -1.5354103685 C 4.0793983021 2.2616022705 -0.7589271295 H -1.4396684482 1.2423629140 2.3456901120 H -0.6149849193 0.9913995348 -0.5537655783 H -2.6535628375 3.0177122450 0.2050684020 H -3.2808097252 2.6627590486 1.8061103793 H -0.1365968495 3.2525555335 0.4440165910 H 0.7013616700 2.3356745633 1.6896577281 H -0.4984623317 3.5413717428 2.1456952706 H -0.5303838818 -1.0996959136 1.5168238358 H -2.0649621074 -1.8749186875 -0.7969334254 H -5.5008153385 1.4866488186 0.4178838570 H -5.5639151887 -2.6639547245 -1.8295197208 H -3.8775767532 -3.1006809883 -2.0743946565 H -4.6790064520 -3.5016180572 -0.5640720280 H 2.8528511841 1.3605920135 -2.2827364191 H 4.5395363059 2.9899328115 -1.4267021676 H 4.8132859660 1.9651957593 -0.0092387023 H 3.2442012023 2.7440285146 -0.2521033651 H 4.7086523767 -2.8239130259 1.0065622961 H 3.3155097434 -3.3643527328 1.8932165150 H -6.1640988965 -0.6613601949 -0.5841016342 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction indaziflam CONF24 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 indaziflam CONF24 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point indaziflam CONF24 gas 0 1