%chk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/water/CONF17/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization metalaxyl CONF17 water 0 1 O -3.3973711922 -1.2903853420 -0.1255361387 O -0.0806864289 3.4046096088 -0.9535199195 O -1.7071582990 1.2643094108 -0.7857431060 O -2.4033846089 -0.3655579847 1.6471556081 N -0.1000372514 -0.1332387114 -0.0722262464 C -1.0491508252 -1.2428870546 -0.1545981531 C 1.2858387073 -0.3711298306 0.1752366673 C 1.8140050581 -0.1712263883 1.4512955502 C 2.0832201825 -0.8091152187 -0.8909090094 C -0.5125756689 -2.5159006724 0.4875333459 C -0.5425415625 1.0833157748 -0.4614864023 C -2.3429795077 -0.8772398818 0.5563906080 C 3.1732180503 -0.4167543888 1.6449088712 C 3.4317512942 -1.0439223876 -0.6579566812 C 0.9889432786 0.3230931775 2.6004674773 C 1.5011376156 -1.0169864641 -2.2563853130 C 3.9746051883 -0.8489527269 0.6043041973 C 0.4693011566 2.2223606749 -0.4525554019 C -4.6825685843 -1.0944184734 0.4684303648 C -0.0972683549 3.4635786404 -2.3651932876 H -1.2790088754 -1.4490810406 -1.2032705166 H 0.3694957638 -2.8850560243 -0.0324254174 H -0.2611263172 -2.3689530287 1.5372083490 H -1.2709120913 -3.2959516545 0.4260263886 H 3.6012313405 -0.2662759850 2.6284089482 H 4.0625247882 -1.3797449071 -1.4713623818 H 1.2696911325 -0.1860032976 3.5221341716 H 1.1581558557 1.3893326103 2.7670737405 H -0.0775072224 0.1817473278 2.4492757697 H 0.8127614313 -1.8640190196 -2.2823719037 H 0.9474090764 -0.1461330501 -2.6102257722 H 2.2851328555 -1.2202088780 -2.9830869009 H 5.0271094443 -1.0347258075 0.7737605520 H 0.7761630954 2.4105992865 0.5805603745 H 1.3769466412 1.9351689014 -0.9987733198 H -4.7733643641 -1.6367057897 1.4086454232 H -5.4019864132 -1.4869535760 -0.2435358900 H -4.8844510417 -0.0371604283 0.6366158674 H -0.7273413994 2.6922334667 -2.8155372027 H 0.9108983008 3.3718656986 -2.7829038508 H -0.4970832906 4.4357223597 -2.6489146601 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/water/CONF17/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction metalaxyl CONF17 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/water/CONF17/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 metalaxyl CONF17 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/water/CONF17/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point metalaxyl CONF17 water 0 1