%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF119/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF119 water

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O    0.8272897750   0.8185678192   1.6125975652
H    0.9298059262  -0.1690596104   1.6594465801
H    1.2915666479   1.1700509448   2.3791269776
H    1.5521928015   1.2560227818   0.0729063846
O   -1.7365063971   1.7016377211   1.3048656265
H   -2.2717981719   1.2378609888   1.9558418218
O   -2.4231089077   0.5664573372  -1.0671817573
H   -2.1850789342   0.9888568593  -0.2106436328
H   -0.8238268421   1.3763355957   1.4574369218
H   -2.7268018685  -0.3129670282  -0.8226232374
O    1.8566345971   1.4422809220  -0.8404162668
H    1.5163513089   2.3221940237  -1.0291315989
O    0.0067741526  -0.1840477176  -2.1133660929
H   -0.8557303623   0.1537846241  -1.7907140294
H    0.6763258869   0.3932102019  -1.6921410307
O    1.1234750783  -1.8166185933   1.6175472512
H    0.7048908760  -2.0824604472   0.7612391452
H    2.0668840942  -1.9401131456   1.4732901309
O   -0.0058534484  -2.4678228201  -0.7241335687
H    0.5968373010  -3.0727438481  -1.1666846327
H    0.0326442688  -1.6339101114  -1.2577436623

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF119/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/ CONF119 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF119/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/ CONF119 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF119/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF119 water

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