%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF33/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF33 gas

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H    1.7614655277  -0.2247119140   0.5849691176
O   -0.4202817937   1.7042788908   1.4623302053
H   -1.2533517884   1.3192364484   1.8147082315
O   -2.7023817322   0.2896893203   1.9340313803
H   -3.4313418816   0.6703243134   1.4392143631
H   -0.6898296684   2.1643983564   0.6372042922
H   -2.4023755330  -0.4558741706   1.4016890307
O    0.7763210807  -0.2883732739   0.6774956848
H    0.3182868009   0.6034452871   1.0497967308
O   -1.1866356242   2.4938430993  -1.0269863593
H   -0.8817787715   1.6798617861  -1.4494536601
H   -0.7267328780   3.2058378460  -1.4748955826
O    3.3361901505  -0.4762093388   0.0213028805
H    3.2958117420  -1.4271786642  -0.1237455994
H    3.3653541530  -0.0979209857  -0.8621284379
B    0.1393973529  -0.8981317763  -0.5656916130
F   -1.1839665061  -1.1568350228  -0.2565771326
F    0.2193130759   0.0433426528  -1.6065561794
F    0.8531760850  -2.0275720143  -0.8829555005

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF33/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF33 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF33/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF33 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF33/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF33 gas

0 1