%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/tridiphane/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization tridiphane CONF1 water 0 1 Cl 3.7926149883 -0.8903195939 -1.1998282537 Cl 2.7271477735 1.3871359503 0.2046805348 Cl 1.1285592693 0.0050430588 -1.7550576299 Cl -3.6200604909 -2.2832195058 -0.7191416710 Cl -2.6426510935 2.9627253347 -0.1307161686 O 0.6278776480 -1.3563355714 2.7284758909 C 0.7353739806 -0.6172224564 1.5237260750 C 1.0883477888 -0.0125954685 2.8039324887 C 1.8399385685 -1.1454813637 0.6260032882 C -0.5751437300 -0.2822799167 0.8879451708 C 2.3249277806 -0.2067027157 -0.4642701941 C -0.9587473625 1.0401936156 0.7195136911 C -1.3937675028 -1.3141037333 0.4454582795 C -2.5917082195 -1.0038657354 -0.1721570166 C -2.1625631018 1.3157110036 0.0921798537 C -2.9953059334 0.3086765339 -0.3651706624 H 2.1344732752 0.1121358453 3.0666092030 H 0.4074299985 0.6927804354 3.2707040960 H 1.5192730053 -2.0741087781 0.1474911993 H 2.7015167650 -1.3834051244 1.2529360525 H -0.3232534318 1.8451369314 1.0636890717 H -1.0952288693 -2.3464391599 0.5745121904 H -3.9324001613 0.5380219141 -0.8533434370 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/tridiphane/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction tridiphane CONF1 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/tridiphane/water/CONF1/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 tridiphane CONF1 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/tridiphane/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point tridiphane CONF1 water 0 1