%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF31/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF31 water

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O   -0.5894250587  -1.7158093404   0.7220468901
H   -0.7658948052  -1.6031909146  -0.2330644868
H   -0.9487655313  -0.8954000860   1.1136404000
H    1.9731626404   0.5014617887   0.2829502586
H   -0.8777654086  -0.1103376831  -1.7281028012
H    2.3420920083  -1.5757934750  -0.1886906308
O   -1.5868786230   0.7870001827   1.5269708066
H   -1.3164925750   1.1466848504   0.6594729822
O   -0.5847080125   1.4793868857  -0.9634668617
H   -0.7590475217   2.3109799752  -1.4144972595
H   -2.5383687938   0.6695367496   1.4501402517
H    0.3538275014   1.5254689057  -0.6476154979
O   -1.0236616500  -1.0478725703  -1.9663606761
H   -1.9772051012  -1.1214796140  -2.0678770976
O    1.8711397241   1.4600696580   0.0697435609
H    1.7078202062   1.8778964667   0.9208304629
O    2.0566898726  -1.1747864783   0.6379506791
H    1.0988353161  -1.4064409191   0.7048824267

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF31/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 CONF31 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF31/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 CONF31 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF31/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF31 water

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