%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization naftifine CONF14 water 1 1 N 2.2430464945 -0.7891641985 -0.1912177145 C 1.6260332079 0.3682383646 -0.9251275228 C 1.7359115785 1.6571963824 -0.1712737347 C 0.8888186640 1.9374335278 0.9416265594 C 1.0556286226 3.1700839206 1.6295964066 C 1.8262584528 -2.1045806598 -0.7949054163 C 2.6633064004 2.5846784288 -0.5716575109 C 3.7185559737 -0.6779359425 -0.1186789310 C -0.1165450737 1.0493982458 1.3975574734 C 2.0270764572 4.0954706737 1.1821171175 C 2.8096482622 3.8131381530 0.0994665160 C 0.2419784845 3.4593894012 2.7491801369 C 0.3801190528 -2.3677498834 -0.5604542579 C -0.8889864093 1.3579299651 2.4848775581 C -0.7056198988 2.5709492485 3.1753506290 C -0.5122848936 -2.4048362799 -1.5513540436 C -1.9534639388 -2.6312047005 -1.4302108606 C -2.5994120154 -2.8200462064 -0.2042498598 C -2.7253288051 -2.6297697094 -2.5939515896 C -3.9716264727 -2.9947210736 -0.1504485936 C -4.1004664987 -2.8049453245 -2.5401703291 C -4.7291069258 -2.9855548492 -1.3171071694 H 0.5891851574 0.1051454416 -1.1273537435 H 2.1425935699 0.4290234080 -1.8821832809 H 2.4457336558 -2.8634111306 -0.3169420536 H 2.0795211916 -2.0632328520 -1.8538805577 H 3.2979848943 2.3672494558 -1.4219955433 H 3.9896564552 0.2579428438 0.3600870344 H 4.1242612004 -0.7118154355 -1.1265503918 H 4.1031384610 -1.5079357965 0.4666724379 H -0.3033085822 0.1139350355 0.8848607541 H 2.1367391655 5.0337749613 1.7119220326 H 3.5475941141 4.5247289048 -0.2452542274 H 0.3843076377 4.4009435154 3.2656001669 H 0.0903366472 -2.5320312471 0.4728091318 H -1.6509268760 0.6635462860 2.8134733953 H -1.3217883612 2.7991881860 4.0348215750 H -0.1561404528 -2.2381826692 -2.5644189787 H -2.0340082039 -2.8252417112 0.7188152240 H -2.2403500311 -2.4833826344 -3.5518234519 H -4.4554377866 -3.1360694260 0.8072135281 H -4.6797144978 -2.7970988992 -3.4541069761 H -5.8018618133 -3.1186876659 -1.2694673271 H 1.8967026577 -0.7823512326 0.7729754449 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction naftifine CONF14 water 1 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum naftifine CONF14 water 1 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point naftifine CONF14 water 1 1