%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF132/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF132 water

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O   -1.6549674087  -0.4879076685   0.7959690675
H   -0.9816496610  -0.9403728345   0.2525929793
H   -1.2182965813  -0.4042186767   1.6690748728
H    0.4883476861  -2.4909902184  -0.9233299034
O   -0.1469748217  -0.2065214567   3.1081518055
H    0.6408353173  -0.6262400678   2.6968099910
O   -0.6792726733   1.7216928985  -2.6497935510
H   -1.3622594656   1.1539813464  -3.0198021587
H    0.0312306668   0.7376096563   3.0603534266
H   -0.9556661165   1.8629144660  -1.7124330496
O    0.5222172644  -1.6156312705  -0.5252065924
H    0.8702452469  -1.0078144521  -1.2273512494
O    1.4393660927   0.0860332292  -2.3528689565
H    0.6776678389   0.6995482975  -2.4905931155
H    2.0868402358   0.6081436320  -1.8685720581
O    1.9446347265  -1.4054396216   1.8049458625
H    1.9989191208  -2.2933649170   2.1711409368
H    1.4939230831  -1.5214471743   0.9414490158
O   -1.3912192386   2.0478990963  -0.0733396931
H   -1.5091846775   1.1200639070   0.2461230821
H   -2.2782980590   2.4201688408  -0.0803841750

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF132/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/ CONF132 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF132/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/ CONF132 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF132/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF132 water

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