%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF108/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF108 water

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O    0.5035970629   0.9466364108  -1.7660977263
H    0.8856606377   1.0507563449  -0.8676352017
H   -0.2945100377   1.4845724095  -1.7405454130
H    2.2956796798   1.3590337147   0.9912709970
O    0.2623050371  -0.8532490872   1.9040463550
H   -0.6265014109  -0.6715126804   1.5449028936
O   -2.1278286538  -0.1658624418   0.5584758052
H   -1.6945238267   0.5087521360   0.0249620795
H    0.6101134140  -1.5626889102   1.3191703179
H   -2.2231676940  -0.9090110143  -0.0459706761
O    1.3539272755   1.3054701649   0.8025906283
H    1.0151860554   0.4997625616   1.2725997590
O    1.1418492414  -2.7385761849   0.1279398140
H    0.6550430349  -2.3796930417  -0.6495581653
H    0.6597055374  -3.5362084855   0.3664825659
O   -0.2434236437  -1.6566958488  -1.9361968203
H    0.0091802713  -0.7059812945  -1.8918836112
H    0.1310396677  -1.9729831741  -2.7638528858
O   -0.6253790903   3.3142236480   0.5614092693
H    0.0905887547   2.6763482791   0.7134068200
H   -1.4266732939   2.8014274763   0.6934202918

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF108/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/ CONF108 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF108/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/ CONF108 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF108/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF108 water

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