%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF118/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF118 water

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O   -0.9653550490   1.5209339803   0.4224493280
H   -0.2970348989   1.4466058495  -0.2668347866
H   -0.4593361344   1.4215944011   1.2635673312
H   -0.2029553618  -1.5961938961  -0.0464056443
O    0.4099226905   1.1262190647   2.7107517166
H    1.0451425738   0.4328159593   2.4075240346
O   -1.4798456605   0.3926138615  -2.8601436212
H   -1.6834000856   1.2414879304  -2.4520521845
H    0.9510554938   1.9108777323   2.8422328475
H   -1.8792173885  -0.2510620978  -2.2653081454
O    0.7332209852  -1.7923729485  -0.2530459298
H    0.9445425303  -1.1808523479  -0.9897446112
O    1.1980728747   0.0334206380  -2.2771168538
H    0.2613717404   0.1887952500  -2.5187724467
H    1.4475196955   0.8172558702  -1.7774557783
O    2.0988710078  -0.7566505732   1.8040505036
H    1.6065471271  -1.1580669758   1.0440164820
H    2.1326962796  -1.4519914266   2.4683129076
O   -1.8990098374  -1.0406146251   0.2658940462
H   -1.6437900168  -0.0936919113   0.3336450541
H   -2.1075677023  -1.3029190190   1.1677478682

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF118/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/ CONF118 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF118/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/ CONF118 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF118/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF118 water

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