%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF152/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF152 water

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O    0.8603810632   1.0373785134   1.3192555249
H    0.3157139944   0.2650603804   1.4994150570
H    0.3362004590   1.5585517769   0.6681896356
H    2.2941329176   0.3770798489   0.6534933871
O   -3.0333123839   1.2707815594   0.2947800771
H   -2.7071823876   0.3619423996   0.4900692571
O   -1.9889070446  -1.1869321318   0.7613936198
H   -1.3648313683  -1.2036168483  -0.0018341517
H   -3.2342976792   1.6461146765   1.1576398825
H   -2.6455398877  -1.8598648326   0.5579719307
O    3.1070060426  -0.0544049344   0.2989400506
H    3.6035614458  -0.3115693761   1.0823800715
O   -0.3014728989  -1.0626599772  -1.3412316685
H    0.5285115435  -1.5448245744  -1.1162162908
H   -0.0621950959  -0.1332348835  -1.2690041898
O    2.0119124200  -2.3071857028  -0.6871345268
H    2.4492054641  -2.4767681047  -1.5272482699
H    2.4696673530  -1.5120223054  -0.3239005239
O   -0.6930601032   2.4604897268  -0.3899560157
H   -0.5102748312   2.1832347438  -1.2927514886
H   -1.5663949657   2.0561912377  -0.1751311771

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF152/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/ CONF152 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF152/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/ CONF152 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF152/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF152 water

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