%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF114/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF114 water

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O    0.1832786990   0.9811155819  -0.2506074515
H    0.2685585901   1.4868830755   0.5896557949
H   -0.7720526614   0.8838315867  -0.4418769392
H   -0.6703267614  -2.2110225251  -1.5655677288
O   -2.3664812156   0.2995161279  -1.0769528928
H   -2.6040784490   0.9297420881  -1.7638161696
O    0.4566573291  -1.5112773823   0.9035149287
H    0.3979410145  -0.6536991126   0.4295152010
H   -1.9557883652  -0.4471812832  -1.5625213877
H   -0.4501249453  -1.8335555369   0.9131587447
O   -0.9410275420  -1.7120171050  -2.3432759228
H   -0.1698654713  -1.1366947006  -2.5322491001
O    1.1798959331   0.0505457021  -2.6549711422
H    0.8880001898   0.6762307209  -3.3249428806
H    0.9700461860   0.4870526498  -1.8082333329
O    0.8195143357  -0.3034205476   3.3574375530
H    0.7008488675  -0.8125104485   2.5273212649
H    1.7627246755  -0.3574736718   3.5386501162
O    0.5159569702   2.1546276698   2.1834330972
H    1.4048585844   2.5208173283   2.1442521410
H    0.6228769905   1.3083809136   2.6726517312

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF114/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/ CONF114 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF114/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/ CONF114 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF114/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF114 water

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