%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF107/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF107 water

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O   -1.5026740368   2.2556902090  -0.4030028642
H   -0.6237256910   2.0888716043   0.0251616939
H   -2.0337454078   2.6709236106   0.2824921328
H    1.7485934477   0.8309947582  -2.1022432603
O   -0.7827397134  -1.8014374159   0.3099268629
H   -1.4554408679  -1.2128682315  -0.1272867892
O   -2.5408382519  -0.1759295039  -0.8045981368
H   -2.4929256465  -0.3111079594  -1.7556331445
H   -1.2432231195  -2.6173370835   0.5307515365
H   -2.1736460231   0.7318137118  -0.6605974224
O    2.2558599180   0.5786322936  -1.3249729760
H    2.0392679469  -0.3716275747  -1.1890669469
O    1.6428489101  -2.0367048342  -0.8990070665
H    2.2154090236  -2.2734682335  -0.1642239998
H    0.7473255781  -1.9887140163  -0.5024247277
O    0.2273582400  -0.3430888220   2.3831124153
H   -0.1584834406  -0.9149920460   1.6864039873
H   -0.5331654313  -0.0249309359   2.8776780683
O    0.8662834052   1.7752225231   0.7217152267
H    1.3848587611   1.3596714278  -0.0007353836
H    0.6729754969   1.0430111895   1.3433471946

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF107/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/ CONF107 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF107/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/ CONF107 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF107/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF107 water

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