%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/famoxadone/water/CONF122/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization famoxadone CONF122 water 0 1 O 2.1471076325 -2.3617871874 1.1917212567 O 2.6058283765 -0.7493459358 -1.8639259532 O 3.2262905456 -1.0275546641 2.6271535386 O -3.7009495230 -0.9669371747 -0.7991228095 N 3.0963576505 -0.5566581346 0.3692954601 N 3.7111881677 0.6600884083 0.3883262053 C 1.7630042831 -2.3391312823 -0.1917156335 C 0.2832493023 -2.0262611382 -0.3081565056 C 2.5273852977 -1.1424382022 -0.7317736557 C 2.1822571679 -3.6398808136 -0.8455964390 C 2.8570883444 -1.2854932451 1.5203994973 C -0.3129615146 -2.0103950649 -1.5663227554 C -0.4840507287 -1.6879231766 0.8021425092 C -1.6385291046 -1.6407607064 -1.7178493341 C -1.8169826023 -1.3348524268 0.6618777205 C -2.3866978782 -1.2954843927 -0.6023462215 C 2.9082752389 1.7602758406 0.0345190845 C 1.5419088434 1.7875933104 0.3037228324 C 3.5164780166 2.8645674098 -0.5571565676 C -4.2409379392 0.0983849359 -0.1204956574 C 0.7971179351 2.9082176804 -0.0365709212 C 2.7629673086 3.9820940547 -0.8787234349 C 1.3971627480 4.0106576735 -0.6276743964 C -3.5180101290 1.2561042244 0.1417716146 C -5.5741606840 -0.0051001995 0.2498362016 C -4.1428525830 2.3088178961 0.7950889650 C -6.1881378351 1.0610506811 0.8915710499 C -5.4756876134 2.2186213817 1.1736474804 H 1.6330185076 -4.4720297353 -0.4076253872 H 3.2508492897 -3.8098263471 -0.7157541397 H 1.9703409040 -3.6158635467 -1.9124316454 H 0.2539939225 -2.2682284006 -2.4508697373 H -0.0650987029 -1.6978093843 1.7984545552 H 4.6109025145 0.6342088163 -0.0764485248 H -2.0876894289 -1.6165310221 -2.7021488972 H -2.3967262247 -1.0864742190 1.5414956830 H 1.0424689871 0.9507939840 0.7767911801 H 4.5784388233 2.8443641941 -0.7725703123 H -0.2659612899 2.9122609454 0.1690854421 H 3.2490193506 4.8313403357 -1.3409253232 H 0.8096805142 4.8800356459 -0.8900911911 H -2.4813711574 1.3482220859 -0.1579535803 H -6.1256981582 -0.9116985732 0.0351527401 H -3.5788686843 3.2091504753 1.0015181200 H -7.2278674146 0.9783624703 1.1796999944 H -5.9552501426 3.0448250085 1.6810144031 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/famoxadone/water/CONF122/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction famoxadone CONF122 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/famoxadone/water/CONF122/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 famoxadone CONF122 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/famoxadone/water/CONF122/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point famoxadone CONF122 water 0 1