%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF60/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF60 water

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O    1.7782098619  -0.5222420419  -0.3277441950
H    1.7076234689  -0.3331206041   0.6339721304
H    1.2843070247   0.1961400904  -0.7375857272
H    0.6870796480   2.4934587106   0.4362938950
H   -0.7705754676   0.1806015205  -2.4661471609
H    0.3711500187  -2.8744294180  -1.8115598113
O   -2.0076683669   0.9485620413   0.2926116488
H   -1.7941638662   0.4949345592  -0.5547094148
O    1.4394074888   0.2076134455   2.2884162249
H    0.7417683914  -0.3746384899   2.6055256736
H   -2.0996980173   0.2331078695   0.9297323498
H    0.9648635752   1.0166639447   1.9891247462
O   -1.4533785308  -0.3431175942  -2.0343558187
H   -0.9774983376  -1.1414464921  -1.7123384508
O    0.1271676720   2.3347696116   1.2042167133
H   -0.6496248267   1.8461283458   0.8424865081
O   -0.0074681395  -2.4380376919  -1.0423933720
H    0.6985658734  -1.8266257568  -0.7327666933

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF60/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 CONF60 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF60/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 CONF60 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF60/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF60 water

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