%chk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cyanazine/ CONF5 water 0 1 Cl -3.8746731233 1.1201224465 -0.0044477884 N 0.9437440981 1.7213574982 -0.0574163077 N -0.6998052266 -2.5530766289 -0.2025423829 N 0.1807322779 -0.4397160118 -0.0913383868 N -1.3128466472 1.3982795078 -0.0373599139 N -2.1617777565 -0.8030317592 -0.0847795972 N 3.1010593734 -0.2861221224 -1.8312093578 C 2.3468856999 1.3723102745 0.0578618841 C 2.6959066217 0.7496875320 1.4114363889 C 3.1662371328 2.6468784970 -0.1578288045 C -0.0798325864 0.8562681285 -0.0577975206 C 2.7230295875 0.4269071603 -1.0096980632 C -0.8834371954 -1.2398709984 -0.1186881447 C 0.5944212085 -3.2044787918 -0.1896374963 C 1.1609733935 -3.4080084936 1.2039320665 C -2.2614848693 0.4971009797 -0.0475397962 H 0.7128476002 2.7033311619 -0.0224496560 H 2.1416326344 -0.1682178434 1.5928352243 H 3.7610575361 0.5247115658 1.4577286729 H 2.4629682903 1.4648537546 2.1996596420 H 4.2294524228 2.4245313998 -0.0964462839 H 2.9231927765 3.3678805174 0.6228912664 H 2.9600732931 3.0960828496 -1.1285388242 H 0.4673911151 -4.1662011476 -0.6842300017 H 1.2872838920 -2.6270085120 -0.8000024468 H -1.5259821407 -3.1290877247 -0.1625327796 H 0.4993386558 -4.0210082105 1.8162070674 H 2.1238809425 -3.9158526593 1.1412137364 H 1.3183336186 -2.4578925872 1.7153226382 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Cyanazine/ CONF5 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/water/CONF5/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 Cyanazine/ CONF5 water 0 1 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Cyanazine/ CONF5 water 0 1