%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF128/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF128 water

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O   -0.2804878051  -0.2725050135  -0.2201901485
H    0.5827376640  -0.4563729956   0.2177957257
H   -0.4097384842   0.7014916659  -0.1426765134
H    2.5986671286  -0.9778421340  -0.0820726718
O   -2.6822330083   1.7593826489   2.0160209921
H   -2.5812872416   0.7864084461   1.9094585398
O   -2.2322050827  -0.8990598183   1.5827869325
H   -1.5179964069  -0.7613552762   0.9207224490
H   -3.5132114260   1.9668237084   1.5774992501
H   -1.7764153804  -1.2083451812   2.3715560878
O    2.1921674020  -0.8189071281   0.7996559511
H    2.1332855265  -1.6916918372   1.2007595420
O    3.1173817745  -1.2053632410  -1.7425949013
H    2.2376346930  -1.1017556057  -2.1698689204
H    3.5858624946  -0.3927757206  -1.9580231261
O    0.5902412585  -0.8817096391  -2.7413972198
H    0.2803410803  -1.7748505101  -2.9193724030
H    0.1957260889  -0.6518619734  -1.8711382971
O   -0.7697106596   2.3820980885   0.1740241958
H   -0.0001948644   2.6761924270   0.6712713552
H   -1.4646735707   2.2383171582   0.8561656441

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF128/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/ CONF128 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF128/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/ CONF128 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF128/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF128 water

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