%chk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Propazine/ CONF5 water 0 1 Cl 3.8317731881 -0.0010694675 -0.1339239708 N -0.4319665043 -2.2964857537 0.1911905887 N -0.4311253218 2.2974392075 0.1803071720 N -0.5123753609 0.0003393435 0.1250115133 N 1.5456958085 1.1791811274 0.0254864002 N 1.5452681699 -1.1797079327 0.0310960458 C -1.8726160730 -2.4910423393 0.1621426411 C -1.8717073853 2.4923919314 0.1508354811 C -2.2200907718 -3.7315154688 0.9687478631 C -2.3871007551 -2.5900248082 -1.2682164469 C -2.3864871728 2.5860716059 -1.2797691257 C -2.2186522544 3.7359813768 0.9528370379 C 0.1956842839 -1.1249659166 0.1089613585 C 0.1960854399 1.1253009867 0.1036287925 C 2.1027440714 -0.0004566797 -0.0105410027 H -2.3277052826 -1.6249904823 0.6416286534 H -2.3269507163 1.6283162032 0.6337269411 H 0.1478623747 -3.1187946089 0.1100040266 H 0.1490348575 3.1191379669 0.0954099550 H -1.7347398786 -4.6193394398 0.5576106347 H -1.9169956469 -3.6293940953 2.0108821395 H -3.2956798566 -3.9039264263 0.9484770796 H -1.9633069412 -3.4588590568 -1.7754347213 H -2.1311158518 -1.7012625371 -1.8459250078 H -3.4727805841 -2.6923095709 -1.2773629671 H -1.9623145899 3.4526578499 -1.7904993598 H -2.1311721491 1.6949045379 -1.8540652166 H -3.4721093133 2.6889455337 -1.2890425248 H -1.9154236706 3.6376405600 1.9952949300 H -3.2941941463 3.9086444580 0.9320995561 H -1.7331075542 4.6221339434 0.5383399284 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Propazine/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 Propazine/ CONF5 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Propazine/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 Propazine/ CONF5 water 0 1 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Propazine/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 Propazine/ CONF5 water 0 1