%chk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/water/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Propazine/ CONF2 water 0 1 Cl 3.8404820232 0.0002286434 0.0929612227 N -0.4313917174 -2.2963568024 -0.0903682531 N -0.4305362553 2.2965077383 -0.1142885235 N -0.5073588279 0.0004981496 -0.0361647245 N 1.5513150385 1.1803846833 -0.0068214903 N 1.5508221548 -1.1798932240 0.0047737876 C -1.8711154751 -2.4977217800 -0.0654970549 C -1.8702559997 2.4978539213 -0.0874019516 C -2.3217823789 -2.9749341384 1.3081382648 C -2.2739931568 -3.4750249711 -1.1583962716 C -2.2702000878 3.4913219077 -1.1666449598 C -2.3232715838 2.9559652599 1.2920237902 C 0.1988511972 -1.1252472575 -0.0351504407 C 0.1993406943 1.1258076428 -0.0462804473 C 2.1078516845 0.0002479170 0.0222777556 H -2.3317757545 -1.5338497426 -0.2726108514 H -2.3314721635 1.5374275973 -0.3092416795 H 0.1493296745 -3.1212036624 -0.0464401371 H 0.1502545836 3.1215485312 -0.0753031368 H -2.0462524931 -2.2609406145 2.0851146433 H -3.4050246603 -3.0982858819 1.3343387387 H -1.8694170892 -3.9376199797 1.5551281600 H -1.9989197887 -3.1037712582 -2.1457773386 H -3.3530377236 -3.6292478734 -1.1476148571 H -1.7992689304 -4.4482201786 -1.0148626427 H -1.7946191040 4.4617884719 -1.0081625466 H -1.9941002730 3.1343687421 -2.1589850205 H -3.3490391973 3.6466694092 -1.1550980497 H -2.0475037062 2.2323483129 2.0599889259 H -3.4067597700 3.0772124168 1.3186736721 H -1.8725166163 3.9159451535 1.5520407790 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/water/CONF2/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/ CONF2 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/water/CONF2/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/ CONF2 water 0 1 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/water/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Propazine/ CONF2 water 0 1