%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization terbinafine CONF11 gas 1 1 N 2.3199390401 -1.1638488247 -0.3310311769 C 1.8811395111 -0.7921175357 1.0692594921 C 2.2789438541 0.6106143382 1.3927782137 C 1.5953876503 1.7013106339 0.7819568464 C 2.0636518438 3.0175600244 1.0342988377 C -4.7999721909 -1.9026189672 -1.1205155568 C 1.5998415510 -2.3895906660 -0.8517568207 C 3.3298566599 0.8441533646 2.2429297196 C 0.4702382032 1.5397591315 -0.0623427363 C 3.7933585583 -1.3081477369 -0.4291748755 C 3.1570151142 3.2108046854 1.9088376732 C 3.7693471482 2.1515936858 2.5145985406 C 1.4187396171 4.1119739717 0.4172400636 C -5.0678615861 -0.4025209201 -0.9352516854 C -5.6227209282 -2.7134953925 -0.1118088010 C -5.1597551105 -2.3256397082 -2.5511794041 C 0.1753742166 -2.0979146133 -1.1558645579 C -0.1358219035 2.6219818650 -0.6412814632 C 0.3472559426 3.9218042946 -0.4090341204 C -3.3777211086 -2.1546525897 -0.8950840563 C -0.8402037396 -2.6062964498 -0.4460037126 C -2.2027568622 -2.3564431497 -0.7107267478 H 2.3464144184 -1.5135693221 1.7415383352 H 0.8026180512 -0.9421146308 1.1084241316 H 2.1412446947 -2.7046388291 -1.7454232028 H 1.7155003989 -3.1675687305 -0.0957797439 H 3.8332245983 0.0106394104 2.7192397649 H 0.0336247358 0.5606137879 -0.2261367372 H 4.0721527850 -1.4573093641 -1.4689522081 H 4.1045288673 -2.1695714155 0.1572314793 H 4.2729008893 -0.4112167995 -0.0482843658 H 3.4997389381 4.2196897018 2.1011065351 H 4.5944351951 2.3088099253 3.1948173629 H 1.7829794504 5.1120039134 0.6156036029 H -6.1263067132 -0.1957290267 -1.0973406674 H -4.4966500749 0.1943023783 -1.6464280176 H -4.8119905412 -0.0731796603 0.0717216194 H -6.6859314209 -2.5300493584 -0.2708824721 H -5.4458432033 -3.7828324648 -0.2238913045 H -5.3831678445 -2.4347349416 0.9140905736 H -4.5896185381 -1.7627063575 -3.2898894149 H -4.9713458850 -3.3866985654 -2.7117500880 H -6.2194349387 -2.1409778853 -2.7310234281 H -0.0318871442 -1.4759800771 -2.0204767415 H -1.0028831401 2.4779732401 -1.2717346857 H -0.1404311777 4.7677839700 -0.8730632694 H -0.6251543751 -3.2619080708 0.3952986442 H 2.0496297226 -0.3784891338 -0.9297944712 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction terbinafine CONF11 gas 1 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 terbinafine CONF11 gas 1 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point terbinafine CONF11 gas 1 1