%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF10/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF10 water

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O   -2.2450036527  -1.1927039298  -0.5369576357
H   -1.8177295290  -0.3505556912  -0.8005642134
H   -3.1518083544  -0.9508396037  -0.3287993925
H   -0.2495284668   1.2098837623   0.7167353420
H   -0.2179417898  -2.0837857016   1.6649826056
H    1.9344017791   0.2782433136  -1.1742650172
O   -0.8979362614   1.1143317522  -1.0917570890
H   -1.2864146226   1.8109953660  -1.6297859867
O    2.5117498781   0.1660947483   0.4518922794
H    3.1337522623   0.8907082887   0.5630465961
H   -0.0388158343   0.8796403464  -1.5222010389
H    1.6964437783   0.4623343448   0.9203745532
O   -0.9809724770  -1.5319283302   1.8597780617
H   -1.4650293210  -1.4728941880   1.0059954346
O    0.1677734897   0.9644581707   1.5594940524
H   -0.2397289459   0.0969427263   1.7678308686
O    1.4972394788   0.3759491643  -2.0531617409
H    1.3410092431  -0.5265481376  -2.3474229000

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF10/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 CONF10 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF10/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 CONF10 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF10/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF10 water

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