%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Chromafenozide CONF32 gas 0 1 O 4.8951116099 0.1380182015 -0.9888025668 O -4.2941039580 -0.7102030509 0.3055426331 O -0.7160272682 0.7002978351 1.9637526891 N -2.6305266881 0.8110860156 -0.0055048685 N -1.2868694280 0.9302894868 -0.2116293732 C -3.4324581921 2.0191202794 0.3479973842 C 3.3720237616 1.2477505750 0.5235030743 C 4.5023696328 1.9836689171 1.1980771504 C 5.8491965067 1.3588783106 0.8624784019 C 2.0466984370 1.4301200710 0.9375778808 C -3.9631654337 1.9175166086 1.7796566420 C -4.5816390939 2.1726035431 -0.6513135673 C -2.5431949738 3.2574276047 0.2460994877 C 3.6518271656 0.3532028801 -0.5132067183 C 1.0275887774 0.6926140741 0.3293670324 C 5.9017731162 1.0582412314 -0.6182204490 C -3.1457472045 -0.4608610883 0.0281569724 C -0.3823606131 0.7747989911 0.8031823535 C 2.6338471083 -0.3855403815 -1.1072106818 C 1.3350415259 -0.2152794668 -0.6836368041 C 1.7565297708 2.4267182984 2.0255548610 C -2.1830859878 -1.5483022803 -0.3584308565 C -2.0236834298 -1.8739638072 -1.6988888654 C -1.5090418591 -2.2689441055 0.6163248105 C -1.1817751459 -2.9135042162 -2.0796275604 C -0.6498933236 -3.3022078887 0.2593444610 C -0.4985083853 -3.6098094843 -1.0886015516 C -0.9985959055 -3.2681427511 -3.5272873047 C 0.1119690978 -4.0655388853 1.3027902500 H 4.4995901712 3.0356625305 0.8919251953 H 4.3559653816 1.9851029332 2.2798510057 H 6.6649157249 2.0305473932 1.1350919031 H 5.9930876242 0.4342915447 1.4267918408 H -3.1453816666 1.7511675570 2.4791449316 H -4.6837533173 1.1117969024 1.8915514365 H -4.4609761078 2.8505565351 2.0496929544 H -5.2722604435 1.3341076995 -0.6156944322 H -5.1464497219 3.0780547563 -0.4243432614 H -4.2023310115 2.2670938138 -1.6706393779 H -2.1143794060 3.3895098575 -0.7478677662 H -1.7359512475 3.2520618042 0.9777880691 H -3.1592442361 4.1332759091 0.4505249570 H 5.7869308838 1.9853976560 -1.1946456066 H 6.8472481466 0.6011185602 -0.9090259628 H -0.9623465323 1.0245694351 -1.1607371388 H 2.8754784784 -1.0917949231 -1.8902517628 H 0.5550158204 -0.8225178820 -1.1272880870 H 1.9030134262 1.9845073859 3.0128043014 H 2.4118715281 3.2936197879 1.9528253865 H 0.7337809300 2.7912552918 1.9972158364 H -2.5709058087 -1.3246315408 -2.4573144871 H -1.6387878774 -2.0144772899 1.6607256548 H 0.1653448497 -4.4196664642 -1.3738486853 H -1.0625348271 -4.3448992511 -3.6848332100 H -0.0223125967 -2.9462041402 -3.8950635619 H -1.7552884729 -2.7980830893 -4.1541627505 H -0.1727133394 -3.7610451552 2.3084858390 H 1.1857840409 -3.9001754426 1.2019367816 H -0.0618742915 -5.1388957217 1.2180922330 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Chromafenozide CONF32 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 Chromafenozide CONF32 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Chromafenozide CONF32 gas 0 1