%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF112/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF112 water

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O   -2.5963380824   0.6691693876  -0.7142892816
H   -2.6006176469   1.2204822863  -1.5018646521
H   -2.1025643236   1.1963371714  -0.0454002078
H    1.8370853958  -1.0767014173  -2.5948001498
O   -1.2207972612   2.0733097806   1.1512737766
H   -1.7857492173   2.0638952006   1.9297743134
O   -0.8892783182  -1.4058943788  -1.2614823482
H   -1.5109491459  -0.6681736324  -1.0799031341
H   -0.4719660164   1.4809088658   1.3802566633
H   -0.6270933911  -1.7316116173  -0.3769170135
O    1.3040204016  -0.3240285516  -2.3211364989
H    0.4842258837  -0.7246945936  -1.9334857137
O    2.6014875523   0.7255787051  -0.2254152371
H    2.6200799314   1.6749925435  -0.3807993623
H    2.1404650792   0.3491955192  -1.0157977721
O   -0.1555026697  -2.1692876537   1.3105723781
H   -1.0080675470  -2.1677516227   1.7568768069
H    0.2288453879  -1.2930019801   1.5221870810
O    0.8252700702   0.3591540370   1.6994881154
H    1.5213002957   0.5027626255   1.0035809078
H    1.2591922851   0.5248246334   2.5427966587

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF112/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/ CONF112 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF112/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/ CONF112 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF112/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF112 water

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