%chk=/home/apulgar/almacen/pesticidas/G2-G4/naftifine/gaussian/water/CONF15/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization naftifine CONF15 water 0 1 N -3.1447636708 -1.5589139636 -0.0457268063 C -2.9631880230 -0.1224564117 -0.2390176475 C -1.6976699764 0.2523337178 -0.9783845359 C -0.7701305596 1.2175218270 -0.4837078915 C 0.4051166426 1.4991072099 -1.2373367536 C -2.2833315084 -2.0741161551 1.0152820581 C -1.4447558504 -0.3443885217 -2.1891546448 C -4.5288327627 -1.8250384797 0.3026757555 C -0.9356748961 1.8971337368 0.7490125632 C 0.6236581588 0.8459887814 -2.4706997067 C -0.2897799703 -0.0544626454 -2.9387038079 C 1.3568688493 2.4188200092 -0.7362591874 C -0.8328424884 -1.9599914330 0.6897647222 C -0.0022195690 2.7883925071 1.2049106320 C 1.1610989225 3.0542610442 0.4575104667 C 0.0414492533 -1.3056088545 1.4536568036 C 1.4463917764 -1.0446252179 1.1334588988 C 2.1768705530 -0.1912884965 1.9633045128 C 2.0762022948 -1.5490088210 -0.0098167681 C 3.4851516510 0.1593045837 1.6607798123 C 3.3796418824 -1.1972814625 -0.3144792162 C 4.0919562002 -0.3396506036 0.5176829127 H -3.0400159252 0.4054093794 0.7195517383 H -3.8077291730 0.2334810038 -0.8346648132 H -2.5370363511 -3.1302736404 1.1523290350 H -2.4873473829 -1.5754669135 1.9773544741 H -2.1453574535 -1.0701931680 -2.5802587330 H -4.6816623732 -2.8968687830 0.4325102196 H -5.1912542989 -1.4918537317 -0.4965988793 H -4.8477763011 -1.3281502566 1.2307566034 H -1.8125576668 1.7182500686 1.3541510069 H 1.5226433105 1.0690829573 -3.0327340330 H -0.1303805799 -0.5549399897 -3.8850543860 H 2.2490533519 2.6103380905 -1.3204027113 H -0.5165609566 -2.4277486629 -0.2369015590 H -0.1583378786 3.2910744431 2.1504959446 H 1.8953434389 3.7555819635 0.8316948274 H -0.3195775265 -0.8381696582 2.3659386673 H 1.7051591591 0.2146019977 2.8505007156 H 1.5428529392 -2.2117352977 -0.6796387419 H 4.0272554869 0.8285700485 2.3162606355 H 3.8444948045 -1.5927240678 -1.2084413518 H 5.1096155707 -0.0642819490 0.2738862263 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/naftifine/gaussian/water/CONF15/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 CONF15 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/naftifine/gaussian/water/CONF15/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 CONF15 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/naftifine/gaussian/water/CONF15/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point naftifine CONF15 water 0 1