%chk=/home/apulgar/almacen/pesticidas/G2-G4/naftifine/gaussian/water/CONF19/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization naftifine CONF19 water 0 1 N -3.1265111772 -1.5655644139 -0.0387683239 C -3.0050166737 -0.1477680375 -0.3688557004 C -1.6888953876 0.2411815235 -1.0021955470 C -0.8414973328 1.2568918822 -0.4668032954 C 0.3821672926 1.5588641285 -1.1314983284 C -2.2692925164 -1.9412463404 1.0811787028 C -1.3069019747 -0.3968322459 -2.1571377362 C -4.5094853745 -1.8468911177 0.3020270629 C -1.1343117169 1.9726255794 0.7215206439 C 0.7345357964 0.8611423664 -2.3082450208 C -0.0987467284 -0.0966979656 -2.8119269676 C 1.2451034075 2.5467640007 -0.6001585722 C -0.8181046557 -1.9116478510 0.7363836517 C -0.2815039762 2.9256290233 1.2101139702 C 0.9232688684 3.2212120394 0.5438356821 C 0.0929956533 -1.2362500341 1.4361256084 C 1.5057958222 -1.0754583769 1.0867981597 C 2.2502336707 -0.0957569040 1.7478171004 C 2.1316560073 -1.8043240566 0.0694287641 C 3.5660400773 0.1665952167 1.3936689866 C 3.4445741744 -1.5439236562 -0.2838089394 C 4.1680355396 -0.5526916390 0.3717406638 H -3.2230721560 0.4698194607 0.5114283211 H -3.7960713529 0.0832651810 -1.0867417062 H -2.5423278591 -2.9631657315 1.3633937982 H -2.4553349401 -1.3126992922 1.9675246112 H -1.9473353853 -1.1602703065 -2.5794891894 H -4.6314188060 -2.9058894154 0.5311421269 H -5.1599577268 -1.6139990611 -0.5415690816 H -4.8699751128 -1.2739300852 1.1691410396 H -2.0473185425 1.7742618274 1.2642889428 H 1.6701637500 1.0987710251 -2.8000655320 H 0.1649626997 -0.6317443860 -3.7150315016 H 2.1718011178 2.7591399669 -1.1198844660 H -0.5311633851 -2.4689342579 -0.1495270156 H -0.5348134415 3.4548457300 2.1194070259 H 1.5897701006 3.9750831201 0.9417794625 H -0.2389652879 -0.6648995865 2.2991505120 H 1.7824133074 0.4806178859 2.5373807007 H 1.5902726321 -2.5787389160 -0.4591059107 H 4.1189560753 0.9378105768 1.9141404343 H 3.9080664270 -2.1169096684 -1.0766119625 H 5.1930316367 -0.3501321730 0.0902760040 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/naftifine/gaussian/water/CONF19/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 CONF19 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/naftifine/gaussian/water/CONF19/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 CONF19 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/naftifine/gaussian/water/CONF19/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point naftifine CONF19 water 0 1