%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization naftifine CONF7 gas 1 1 N 1.5324525128 -0.4349509185 -0.4705505744 C 2.4537442007 0.7352739928 -0.7287124319 C 2.5025687526 1.6512672258 0.4498958875 C 1.3748940826 2.4623229683 0.7666999451 C 1.4242311577 3.2580949753 1.9413082221 C 1.1573960460 -1.1539789662 -1.7474746568 C 3.6199776280 1.6827275354 1.2450443730 C 2.0760046934 -1.3569102635 0.5575247310 C 0.2064713682 2.5205517740 -0.0306573246 C 2.5924320970 3.2516609944 2.7369455255 C 3.6735648968 2.4923390065 2.3932197360 C 0.3090038238 4.0518646430 2.2886577735 C 0.1149074777 -2.1896663219 -1.5148767350 C -0.8560985888 3.3047300511 0.3292341204 C -0.8113651784 4.0715382216 1.5067442843 C -1.1837056005 -1.9251658609 -1.6988272992 C -2.3176891184 -2.8155664335 -1.4921376339 C -3.6035287955 -2.2916453263 -1.6314056414 C -2.1756881529 -4.1639739569 -1.1531269738 C -4.7202958587 -3.0844290657 -1.4266260405 C -3.2893133446 -4.9564197467 -0.9537733276 C -4.5646552898 -4.4186473338 -1.0863862715 H 2.0836307739 1.2316232460 -1.6268336688 H 3.4340296846 0.3201007322 -0.9629411736 H 2.0830551373 -1.5671825279 -2.1510965040 H 0.8050817849 -0.3834439758 -2.4344747955 H 4.4810822640 1.0761941407 0.9893235700 H 1.3301366549 -2.1092912305 0.7946252281 H 2.3202157677 -0.7932549204 1.4530049924 H 2.9716154009 -1.8337970442 0.1653586735 H 0.1489635124 1.9857991313 -0.9728372376 H 2.6210428963 3.8678674135 3.6267497886 H 4.5686143922 2.5032532516 2.9990272699 H 0.3571744061 4.6540823016 3.1870710204 H 0.4479037146 -3.1715145321 -1.2010545673 H -1.7325502048 3.3477447552 -0.3031742095 H -1.6579377481 4.6854787934 1.7807988534 H -1.4511942946 -0.9273250827 -2.0424647366 H -3.7316372962 -1.2503192614 -1.9023832723 H -1.1932158620 -4.6075193125 -1.0542743912 H -5.7095752133 -2.6622991115 -1.5374526823 H -3.1672885533 -6.0000004573 -0.6977769590 H -5.4334322652 -5.0432382903 -0.9290207134 H 0.6621441153 -0.0501644663 -0.0921099615 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction naftifine CONF7 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 naftifine CONF7 gas 1 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point naftifine CONF7 gas 1 1