%chk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/octanol/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Cyanazine/ CONF4 octanol 0 1 Cl -3.8805303046 1.0974480158 -0.2137061400 N 0.9374646390 1.7109154329 -0.1983952775 N -0.7084743644 -2.4906764247 0.6147249612 N 0.1761882548 -0.4102114119 0.2196227599 N -1.3165010907 1.3795236054 -0.2007484473 N -2.1646196673 -0.7781641498 0.2241610472 N 3.1362253768 -0.6038002465 -1.4711803348 C 2.3388284924 1.4072440901 0.0145556929 C 2.6572279462 1.0956257095 1.4787491957 C 3.1522361126 2.6173038957 -0.4530524458 C -0.0855668487 0.8584417908 -0.0473707480 C 2.7431932062 0.2590919848 -0.8208462586 C -0.8881264154 -1.2018271901 0.3440350318 C 0.5763338467 -3.1536783372 0.6907807256 C 1.0670910471 -3.6623461469 -0.6533084605 C -2.2664217105 0.4941773684 -0.0426026704 H 0.6987005306 2.6660786978 -0.4207524174 H 2.3916737370 1.9588583054 2.0891987460 H 2.1072217147 0.2292974287 1.8390266775 H 3.7228174461 0.9032127837 1.6025009349 H 2.8844841852 3.4874110741 0.1475221004 H 2.9643935787 2.8443601150 -1.5021583196 H 4.2166353645 2.4311553301 -0.3234561402 H 1.3016205601 -2.4688764318 1.1252927081 H 0.4683886715 -3.9832418560 1.3885257587 H -1.5408922378 -3.0593102909 0.6448007619 H 1.1932735223 -2.8484736813 -1.3671760229 H 2.0322064676 -4.1569005546 -0.5364120484 H 0.3715752068 -4.3858716906 -1.0800787787 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/octanol/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction Cyanazine/ CONF4 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/octanol/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Cyanazine/ CONF4 octanol 0 1 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/octanol/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Cyanazine/ CONF4 octanol 0 1