%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization benzovindiflupyr CONF3 water 0 1 Cl -2.5874052610 -2.7166851483 0.6945503057 Cl -5.0854313297 -1.2553209342 0.7983707458 F 1.7499602976 -1.3031752543 -1.7479161945 F 1.4606132924 -2.1302588637 0.2477707656 O 2.4235223164 1.8670397000 1.8151780485 N 1.2294750596 1.1141845333 0.0377463587 N 5.4598790307 -0.5337076222 0.3292915354 N 4.7184906738 -1.4652186818 -0.2529893894 C -1.4591116449 -0.0784238962 -0.8288995445 C -3.4151025396 1.0825283869 -0.7482796807 C -1.7717305004 0.1975696713 -2.3235379838 C -3.1007039099 0.9966695074 -2.2676517149 C -2.8658129468 -0.2517536953 -0.3114389145 C -1.1531189220 1.2627186126 -0.2022531471 C -2.3549997106 1.9706468885 -0.1427091443 C 0.0378416571 1.8393623246 0.2076092949 C -2.4067558724 3.2537699015 0.3593764527 C -3.4353526099 -1.2683112255 0.3019057586 C -0.0084864492 3.1385421924 0.7265597842 C -1.2139047623 3.8206546271 0.8049794084 C 2.3157402592 1.1302334179 0.8450650685 C 3.4131261430 0.2205503707 0.4715452994 C 3.4774960479 -1.0308461083 -0.1825640033 C 4.7296995376 0.4880386201 0.7855864042 C 2.4068325962 -1.9115588852 -0.7060805127 C 6.9011706188 -0.6485587933 0.3470350102 H -0.7579861372 -0.8851242200 -0.6375988478 H -4.4454530133 1.3210280283 -0.5001819953 H -1.9001524470 -0.7431616149 -2.8588237366 H -0.9636254005 0.7459069838 -2.8072807161 H -3.0224898468 1.9877096188 -2.7132351939 H -3.8997431486 0.4639512079 -2.7830911639 H -3.3363299905 3.8053100142 0.4110928554 H 0.8934617640 3.6306349562 1.0554908601 H -1.2174446994 4.8230078897 1.2124914221 H 1.2570027366 0.5060748214 -0.7648996068 H 5.1764769382 1.3347375965 1.2803220324 H 2.7914281179 -2.8675323903 -1.0591308094 H 7.2961093186 -0.0672327944 1.1731666475 H 7.3261557155 -0.2821159504 -0.5840582995 H 7.1768274959 -1.6886766186 0.4831301867 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF3/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 CONF3 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF3/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 CONF3 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point benzovindiflupyr CONF3 water 0 1