%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fluindapyr CONF9 water 0 1 F 4.8597130647 1.7433029514 -0.6494614931 F -2.2341231182 -1.9160797541 -1.7556014322 F -2.6027295751 0.0298413199 -2.6652759900 O -0.7618995265 0.7147608474 1.7031417535 N -0.5273844924 0.5473860461 -0.5369739434 N -4.7848556712 0.0591908981 1.0811127681 N -4.7531033217 -0.4525637861 -0.1415123902 C 3.9463230130 -0.6320260666 0.9502785849 C 2.9763754144 -1.8214741445 1.0546008791 C 1.5527758404 -1.2617651303 0.9253533347 C 3.1361896493 0.3144336680 0.0899861659 C 1.7772117270 -0.0062468530 0.1138505687 C 4.1720054000 0.0101448761 2.3228050714 C 5.2805141593 -1.0695130887 0.3539533058 C 0.6032004150 -2.2924138791 0.3273786605 C 0.8604142367 0.7993869867 -0.5576146230 C 3.5564267430 1.4106708581 -0.6335301361 C 1.3221479138 1.8793443062 -1.3063261659 C 2.6712718974 2.1852083974 -1.3593019553 C -1.2541838384 0.5069868901 0.6010467918 C -2.6891692201 0.2059684306 0.4735543507 C -3.4980491997 -0.3725385936 -0.5327875919 C -3.5803414103 0.4573602358 1.4972241602 C -3.1656615087 -0.9305952852 -1.8647969947 C -6.0232615282 0.1302421260 1.8276407933 H 3.1179865237 -2.3904163684 1.9753193440 H 3.1623438795 -2.5057019242 0.2201471698 H 1.1786145154 -0.9734215201 1.9134567550 H 4.7627449659 0.9241219091 2.2414121992 H 3.2299629831 0.2671355218 2.8108938177 H 4.7105162648 -0.6749593563 2.9808678131 H 5.1673360021 -1.4120887122 -0.6757882699 H 6.0270209734 -0.2765045986 0.3689000823 H 5.6843996222 -1.9017685713 0.9340178835 H 0.8508107097 -2.4976195660 -0.7151793479 H -0.4431667931 -2.0006923560 0.3715675224 H 0.6925835987 -3.2307235549 0.8775974773 H 0.6165803191 2.4962116301 -1.8482492146 H 3.0247219703 3.0276784143 -1.9387844143 H -1.0113851215 0.6012680549 -1.4192314614 H -3.4292579461 0.8956041868 2.4701650941 H -4.0445037268 -1.3242562020 -2.3733712156 H -5.9587036923 -0.4802310152 2.7249311041 H -6.2352673652 1.1591168722 2.1067302158 H -6.8266142476 -0.2410264769 1.2007926371 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fluindapyr CONF9 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CONF9/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 fluindapyr CONF9 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fluindapyr CONF9 water 0 1