%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF139/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF139 water

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O    0.1476770575   0.5231725290  -1.9981220206
H   -0.1859714141  -0.3811483688  -1.7690953008
H   -0.0944699413   0.6736775063  -2.9170960981
H    1.8680593920   0.4504538979  -1.4962268663
O    0.1969711936  -1.8211155180   1.3357294117
H    0.6499156407  -0.9456447121   1.4062743724
O   -0.6811851896   1.9516782801   0.2615249251
H   -0.4679470452   1.5526450324  -0.6020657316
H   -0.5984286112  -1.7292989754   1.8685620029
H   -1.4342311075   1.4244240912   0.5912964104
O    2.7406841106   0.4127399030  -1.0555045805
H    3.0865268647   1.3064277372  -1.1400087451
O   -0.6483902718  -1.9040561573  -1.2262680914
H   -0.0358723920  -2.5024633905  -1.6652571330
H   -0.3555190572  -1.8977234245  -0.2831780220
O    1.4200908125   0.5836258512   1.4271188874
H    1.9901946634   0.4994456678   0.6380101942
H    0.6745792661   1.1342305886   1.1042069915
O   -2.7610432549   0.3699752918   1.2482785392
H   -3.3632756739   0.9754058673   1.6920977897
H   -2.3083978920  -0.0799823627   1.9690112756

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF139/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/ CONF139 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF139/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/ CONF139 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF139/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF139 water

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