%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF144/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF144 water

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O   -0.5994613975   0.8194060781  -1.4979960663
H   -0.6598244904   1.6006209266  -0.8923918970
H   -1.1250173757   1.0495055547  -2.2712342617
H    3.1899218299  -1.2430734468   0.4013672891
O    0.4415923565  -2.3871855772   1.2267188142
H    0.2711795409  -3.2963399958   0.9634908886
O   -1.7198023073  -0.9564570546   0.3801957348
H   -1.3788074950  -0.4221194306  -0.3600915889
H    1.2219996238  -2.1182493536   0.6880166813
H   -0.9446387230  -1.4783040442   0.6842282843
O    2.6057974546  -1.6793912205  -0.2256237903
H    2.3795865658  -0.9817792483  -0.8835135121
O    1.9956355570   0.2283110610  -2.0452151883
H    1.9800319924  -0.2302508991  -2.8908352354
H    1.0579784213   0.4647884619  -1.8734972457
O   -1.9150016727   1.1226853222   2.0953930102
H   -2.8508769363   1.3401538680   2.1352923825
H   -1.8709663996   0.3202659754   1.5208057530
O   -0.7901484634   2.8033151233   0.2964126435
H    0.1143705215   2.9364371261   0.5964895698
H   -1.2081976251   2.2576851251   1.0042585242

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF144/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/ CONF144 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF144/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/ CONF144 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF144/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF144 water

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