%chk=/home/apulgar/almacen/pesticidas/14_herbicides/fomesafen/gaussian/water/CONF25/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fomesafen CONF25 water 0 1 Cl -1.1669849543 1.5282246117 -0.3298926062 S 3.3635750365 2.3275146656 0.3753520010 F -6.3251791964 0.7883094106 -1.1142160501 F -5.8286317344 -0.9954464106 -2.2045876008 F -6.8430976781 -1.1398952794 -0.3147196649 O -0.8919282177 -0.7090304751 1.5934446225 O 4.5403633845 -0.9013595760 2.1122693217 O 4.3955619187 3.3255231919 0.1690402551 O 2.7683358549 1.6502696805 -0.7598394244 O 4.7678501037 -0.8554836358 -0.8583534225 O 3.8753880328 -2.3867817413 -2.0489107611 N 4.0865809730 1.1682964166 1.3631431120 N 3.8343653216 -1.5658809658 -1.1638971123 C 2.6088274415 -0.6908109012 0.7683361066 C 0.2349353445 -0.9841674695 0.8910382256 C 2.6072656002 -1.4066304472 -0.4253803576 C 1.4203593301 -0.5096761999 1.4418997161 C 3.8463009372 -0.1773881651 1.4378192172 C -2.0915252691 -0.6708347106 0.9377248137 C 0.2349358401 -1.7002574036 -0.2976321443 C 1.4329878340 -1.9185421159 -0.9501083065 C -4.5701664767 -0.5368446866 -0.2784561656 C -2.3656244348 0.3424443653 0.0226875893 C -3.0543619392 -1.6158856453 1.2348508482 C -3.6028094216 0.4107502184 -0.5887450880 C -4.2993503748 -1.5481443106 0.6317397549 C 2.0849404647 3.0217049805 1.3791454142 C -5.8944720069 -0.4703792604 -0.9729658409 H 1.3941421538 0.0241874938 2.3839672999 H -0.6800135777 -2.0862279282 -0.7264855426 H 1.4340097247 -2.4681083717 -1.8802631912 H 4.8826791404 1.5092789886 1.8984292571 H -2.8309056291 -2.3986540556 1.9471108288 H -3.8004271645 1.2064503805 -1.2947955711 H -5.0396866007 -2.2951858564 0.8802876827 H 2.5267094521 3.4540643055 2.2740954376 H 1.5967568688 3.8009723924 0.7936399634 H 1.3617605892 2.2562410164 1.6478875102 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/fomesafen/gaussian/water/CONF25/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fomesafen CONF25 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/fomesafen/gaussian/water/CONF25/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 fomesafen CONF25 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/fomesafen/gaussian/water/CONF25/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fomesafen CONF25 water 0 1