%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF111/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF111 water

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O    0.1162834805   0.7875004729  -0.7076336308
H    1.0001059314   0.6730874031  -0.3012636825
H   -0.2885860917   1.5927596648  -0.3094666960
H    2.3228656075  -0.9235992411  -0.0187088446
O   -2.3626820967   1.0609794181   2.2058941702
H   -1.9374215059   0.2602480402   1.8314925055
O   -1.0580585459  -1.0460584132   0.9888169384
H   -0.6538140049  -0.4513121016   0.3197346650
H   -3.2749778394   1.0101304568   1.9041460137
H   -0.3298698267  -1.2486893646   1.5855013638
O    2.5555170728  -0.0272627272   0.3025292203
H    3.2144741781   0.2871305292  -0.3237896775
O    1.6230195106  -2.4414452545  -0.7193457080
H    1.1854740420  -2.0288589210  -1.4928108568
H    0.9008694667  -2.5772387819  -0.0970064441
O    0.2998932284  -1.0620241432  -2.7460194997
H   -0.5519413409  -1.5079648442  -2.7814031749
H    0.1535199573  -0.3100087965  -2.1415094758
O   -1.1294305510   2.8437808672   0.5392446808
H   -0.4521154657   3.2730778559   1.0709687904
H   -1.6088255693   2.2622508027   1.1716518784

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF111/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/ CONF111 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF111/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/ CONF111 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF111/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF111 water

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