%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF16/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF16 water

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O   -0.9770394446  -2.1819205919  -0.5864741890
H   -0.3508881496  -1.5732392110  -1.0323188546
H   -0.4442900928  -2.9487663306  -0.3548355400
H   -0.5610966453   0.6593678309   1.5563598657
H   -1.2478228723  -1.3675253100   0.9367748583
H    0.1912236828   0.4713771789  -1.6038934513
O   -0.7516839947   1.8389844933  -1.2144544317
H   -0.5617997713   1.7965905586  -0.2456773352
O    2.3772768702   0.3208109246   0.5219882868
H    1.9226948215   0.0446011766  -0.2964869753
H   -1.6609282586   1.5342788617  -1.2955388900
H    2.3658627085  -0.4672164451   1.0736733694
O   -1.3796695246  -0.8917432668   1.7872662687
H   -2.3182155591  -0.6824935715   1.8049498509
O   -0.0652881749   1.4875558089   1.3763292716
H    0.8362143494   1.1740869717   1.1735699043
O    0.7476572966  -0.3456603891  -1.6465043113
H    1.0490766644  -0.4160494345  -2.5578776774

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF16/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 CONF16 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF16/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 CONF16 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF16/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF16 water

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