%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF137/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF137 water

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O   -1.1595655384   0.9092379453  -2.3112530765
H   -1.9194742120   0.3757744176  -2.5643091847
H   -1.2887881448   1.0748521213  -1.3532233680
H    2.7856235051  -0.3165053285   1.8703451966
O   -1.5253103982   1.2319802490   0.3736679069
H   -2.2437005072   1.8234215285   0.6203391097
O   -1.7551547990  -1.4017899946   1.0516114148
H   -1.7468808637  -0.4435998833   0.8419927328
H   -0.7322201147   1.5326957536   0.8919355494
H   -1.6997229567  -1.4394907257   2.0112906793
O    2.3586729437   0.0030454747   1.0698604573
H    1.7890740635  -0.7457650897   0.7674872464
O    0.9136929644  -0.8716222229  -2.3992921787
H    1.6969250415  -0.3345565608  -2.2431487182
H    0.1719500408  -0.2268342134  -2.3785423165
O    0.7979823798  -1.9827682977   0.1372222264
H    0.7880891227  -1.6662084120  -0.7892664641
H   -0.1050869854  -1.8050283093   0.4723467592
O    0.6230924891   1.9262798559   1.7643054523
H    1.2806298626   1.2277514167   1.5251108991
H    0.3894018765   1.7350749200   2.6780735856

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF137/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/ CONF137 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF137/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/ CONF137 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF137/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF137 water

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