%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF163/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF163 water

0 1
O   -0.2980420323   2.7742028618  -0.2621555248
H    0.2585514512   2.2363643458   0.3486120132
H   -0.7381595295   3.4106584385   0.3093755775
H    2.6227378020   1.2571281511  -1.3450993902
O   -2.1821520272   0.8330417538  -0.6718059959
H   -2.9942555184   1.1789033938  -0.2899243871
O   -1.0194982281  -3.3331928864   0.6865692164
H   -0.2727774391  -3.7352914271   1.1417519940
H   -1.5359545236   1.5688029954  -0.5839942879
H   -0.7270869780  -3.2660950852  -0.2282676974
O    2.7643658827   0.4430586277  -0.8516949937
H    2.0822133189  -0.1665572680  -1.1983415136
O    0.6641007650  -1.2117949331  -1.5817569111
H    0.0977202935  -0.6942006883  -2.1635713100
H    0.2319774461  -1.1454282101  -0.7231653198
O   -1.0233370694  -0.6044171770   1.4199652165
H   -1.4934004959  -0.1673449099   0.6815256004
H   -1.0054812846  -1.5511862106   1.1880800399
O    1.1595603739   1.1323145866   1.3404946229
H    1.7814451222   0.8435705577   0.6440576738
H    0.4827351896   0.4278558811   1.3881964322

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF163/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 7H2O-solo/ CONF163 water

0 1

opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF163/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 7H2O-solo/ CONF163 water

0 1

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF163/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF163 water

0 1