%chk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF40/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Dimethametryn/ CONF40 water 0 1 S -1.6969769249 2.6001274270 -0.2489257042 N 1.7590944788 -0.9415903773 -0.6008207941 N -0.4003217797 -1.5912284320 -0.3140209520 N 0.1516461945 0.7082684522 -0.4775902077 N -2.5874497827 -2.1902294417 -0.1001000615 N -2.0986120927 0.0558401140 -0.1645617111 C 3.6149572633 0.0564134545 0.7166660335 C 2.9059298122 -0.0515190732 -0.6461719466 C 2.7214462434 0.6933362191 1.7734184877 C 4.1587492960 -1.2774255520 1.2161729004 C 3.8461340094 -0.5062044108 -1.7545076926 C 0.4758142643 -0.5967821103 -0.4533173594 C -1.6738844422 -1.2154026379 -0.1889891346 C -1.1306840312 0.9451947865 -0.3111595624 C -3.9849000097 -1.9865048744 0.2170160269 C -4.2574458424 -1.8071471081 1.7002976648 C -0.1794917855 3.5572717538 -0.4073074081 H 4.4656733840 0.7269058860 0.5523052956 H 2.5326859165 0.9400139878 -0.9016468530 H 3.2765454536 0.8485093649 2.7002340524 H 2.3427092168 1.6650886450 1.4520585060 H 1.8637949594 0.0615270869 2.0139544620 H 4.8594886109 -1.7327492150 0.5153988907 H 4.6912557869 -1.1401953479 2.1585869477 H 3.3579532742 -1.9966478634 1.4031031531 H 3.3647460632 -0.4293046592 -2.7295280044 H 4.7413886205 0.1158426708 -1.7745291724 H 4.1647006928 -1.5415404847 -1.6228197141 H 1.9528095645 -1.9300892958 -0.5366882708 H -2.2245514088 -3.1266065414 -0.0171437449 H -4.3550950185 -1.1300549267 -0.3431804399 H -4.5252320592 -2.8562954856 -0.1551233417 H -3.9377496600 -2.6809444211 2.2691319133 H -3.7407561944 -0.9342706502 2.0994919151 H -5.3257750458 -1.6709006143 1.8723551484 H -0.4688150098 4.6007362832 -0.2935337892 H 0.2804324684 3.4296267747 -1.3836885682 H 0.5343499938 3.3064587305 0.3733607249 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF40/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/ CONF40 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF40/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/ CONF40 water 0 1 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF40/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Dimethametryn/ CONF40 water 0 1