%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF30/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF30 water

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O   -0.7757178425  -2.1456170803   0.6945618353
H   -1.3402800236  -2.6979264062   0.1453802648
H   -1.2145775221  -1.2723810111   0.6875025858
H    1.0536467948   1.2576342173   1.2872946996
H   -1.0252614447   0.8969111714   1.0157296693
H    0.4096217389  -0.5333562648  -1.6625656478
O   -0.9451373306   0.5964780458  -2.1620203769
H   -1.3125253351   0.6263918404  -1.2558873160
O    2.3167381924   0.7617401530   0.2413789366
H    2.4183401845   1.4961472730  -0.3724531333
H   -1.5294787462  -0.0036847619  -2.6348975297
H    1.8887519474   0.0512420359  -0.2950588935
O   -1.7271418429   0.4465898087   0.4800322087
H   -2.5707391396   0.7437066694   0.8342391120
O    0.2914558812   1.5132145025   1.8617024621
H    0.3636567763   0.9394759973   2.6314403108
O    1.0466727643  -1.1285405847  -1.2190073212
H    0.4991441153  -1.5751220755  -0.5451093617

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF30/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 6Agua-solo CONF30 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF30/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 6Agua-solo CONF30 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF30/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF30 water

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