%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization benzovindiflupyr CONF4 water 0 1 Cl -0.5518259584 -2.5270210243 -0.1197410371 Cl -2.8353359182 -2.2256676385 1.6314191078 F 2.2725647259 -1.3690917169 -2.4993193558 F 3.5936703674 -2.6191018138 -1.2879293020 O 2.9073081045 1.5739039560 -1.9162401315 N 1.1447006390 2.5833582766 -0.9717147984 N 1.7509299477 -0.8000554719 1.6795416561 N 2.4051784893 -1.5545485813 0.8022728719 C -1.2457901500 0.5163731746 -1.0448411367 C -3.0665401489 0.7412980780 0.3062955180 C -2.3928748672 0.8604200779 -2.0318387201 C -3.6335825657 1.0050654114 -1.1137750871 C -2.0199458918 -0.2919198842 -0.0308735029 C -1.0228573891 1.7525935754 -0.2029704386 C -2.1439977905 1.8929004387 0.6205398580 C -0.0014602875 2.6828649575 -0.1546596994 C -2.2832220489 2.9662560051 1.4745786869 C -1.8320528735 -1.5137737235 0.4227183664 C -0.1316371192 3.7676651188 0.7157280203 C -1.2579075455 3.9100723296 1.5114615657 C 2.0360526174 1.5699238622 -1.0508427023 C 1.9718793436 0.4708478192 -0.0804118356 C 2.5538062869 -0.8020170356 -0.2626956091 C 1.4554440055 0.4115937918 1.2004748078 C 3.1964511942 -1.3383413302 -1.4939170281 C 1.3106844751 -1.3514034824 2.9418898361 H -0.3728168730 0.0550090999 -1.4975891084 H -3.8059696902 0.4963397238 1.0637119207 H -2.5234108339 0.0458726598 -2.7443018273 H -2.1716789577 1.7632020926 -2.6000629502 H -4.1016995965 1.9866235388 -1.1773165005 H -4.3909965831 0.2595966412 -1.3564176576 H -3.1575414490 3.0765505110 2.1026761096 H 0.6655676396 4.4976627099 0.7733859103 H -1.3303831350 4.7583918038 2.1789494876 H 1.3398044956 3.3714017291 -1.5750112497 H 0.9396298314 1.1381164596 1.8058911125 H 4.0533703056 -0.7638156847 -1.8362708967 H 1.8065763660 -2.3031050098 3.0976280792 H 0.2336402407 -1.5077025459 2.9367006330 H 1.5683940186 -0.6788878227 3.7553644197 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction benzovindiflupyr CONF4 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF4/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 benzovindiflupyr CONF4 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point benzovindiflupyr CONF4 water 0 1