%chk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF22/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Dimethametryn/ CONF22 water 0 1 S -1.6829236701 2.6087418021 -0.3175582774 N 1.7588417613 -0.9513651688 -0.5577837416 N -0.4062024111 -1.5896407771 -0.2796226998 N 0.1568265534 0.7045366344 -0.4725217407 N -2.5972013795 -2.1780167888 -0.0841237232 N -2.0993251721 0.0665533446 -0.1755463304 C 3.6311144806 0.0659791514 0.7204403877 C 2.9044906749 -0.0623058983 -0.6309112273 C 2.7505548585 0.7185236138 1.7784919989 C 4.1840863104 -1.2597460269 1.2310291763 C 3.8309971273 -0.5296822771 -1.7455774565 C 0.4753434274 -0.6011403012 -0.4257388338 C -1.6797366655 -1.2065114646 -0.1741153760 C -1.1266137591 0.9494508231 -0.3290814181 C -3.9964230829 -1.9702609656 0.2190947099 C -4.2883623747 -1.8704752761 1.7070282783 C -0.1533485019 3.5468296156 -0.4817741306 H 4.4786894961 0.7350173140 0.5351184032 H 2.5264049206 0.9251252111 -0.8943514753 H 3.3135851303 0.8775703146 2.6998241287 H 2.3775750626 1.6905553813 1.4510133297 H 1.8893108965 0.0962185034 2.0306845349 H 4.8759155216 -1.7226580190 0.5263382491 H 4.7295586633 -1.1086463925 2.1638767483 H 3.3876801269 -1.9781908743 1.4388267636 H 4.7274395619 0.0899179502 -1.7810151902 H 4.1484572384 -1.5646527949 -1.6082150215 H 3.3388705275 -0.4602292133 -2.7157882347 H 1.9501471930 -1.9392701750 -0.4792628691 H -2.2354034395 -3.1129330403 0.0200320996 H -4.3396906738 -1.0754885164 -0.2957158314 H -4.5481488364 -2.8064959566 -0.2099145903 H -3.7620252223 -1.0307271904 2.1617001421 H -5.3566124052 -1.7265168748 1.8725199882 H -3.9903245215 -2.7807798458 2.2288211868 H -0.4371534344 4.5971996033 -0.4380991737 H 0.3353330531 3.3586850956 -1.4342948730 H 0.5340247855 3.3364884934 0.3340307177 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF22/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Dimethametryn/ CONF22 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF22/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 Dimethametryn/ CONF22 water 0 1 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF22/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Dimethametryn/ CONF22 water 0 1