%chk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cyanazine/ CONF6 water 0 1 Cl -3.8509745250 1.0759754896 -0.1396009826 N 0.9453927193 1.8350585731 -0.0673829851 N -0.5513077285 -2.4815128621 0.1778482544 N 0.2521093309 -0.3444785320 0.0787319262 N -1.2987873629 1.4372703998 -0.0999073720 N -2.0777965137 -0.7864703626 0.0294815581 N 3.1463340471 -0.2153792853 -1.7146209164 C 2.3584003905 1.5385806445 0.0733594707 C 2.7232366528 1.0190691588 1.4660398964 C 3.1369194832 2.8222128642 -0.2253272672 C -0.0498759408 0.9396239847 -0.0217620372 C 2.7630489826 0.5372151215 -0.9318203859 C -0.7861167243 -1.1780704912 0.0936917428 C 0.7754734588 -3.0660029312 0.2399093872 C 0.6767946570 -4.5729192663 0.3497579387 C -2.2186025189 0.5068364313 -0.0619000773 H 0.6854521581 2.8064295740 -0.1532483352 H 2.2112444572 0.0890336348 1.7012710815 H 3.7974095072 0.8485822079 1.5328167834 H 2.4487715069 1.7704698211 2.2059222521 H 2.8777161913 3.5808666248 0.5135872025 H 2.9083084004 3.2061324649 -1.2191178801 H 4.2071062536 2.6363141999 -0.1618654401 H 1.3457029338 -2.7920893298 -0.6512382381 H 1.3178257079 -2.6632467282 1.0982485427 H -1.3515222639 -3.0953809864 0.1788760545 H 0.1516924243 -4.8750698945 1.2575006392 H 0.1561544200 -5.0043231092 -0.5071594003 H 1.6764148040 -5.0044868036 0.3839547304 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/water/CONF6/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/ CONF6 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/water/CONF6/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/ CONF6 water 0 1 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Cyanazine/gaussian/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Cyanazine/ CONF6 water 0 1