%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF106/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF106 water

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O   -0.9056760138  -0.0968110642  -1.9129082414
H   -0.0630612100  -0.5848709400  -1.7912968646
H   -0.6916415522   0.8350311241  -1.6936294002
H    1.6656389534   1.6909638551   0.9925218154
O   -0.4301448595  -0.3257360636   1.9530563795
H   -1.1869852837  -0.5257781416   1.3397289966
O   -2.3417363796  -0.8253907530   0.1991075821
H   -1.8439518559  -0.5700177453  -0.6213559537
H   -0.7619798072  -0.4532763933   2.8473501719
H   -2.9925697975  -0.1271340356   0.3167998160
O    0.7871161902   2.0086495516   1.2232702441
H    0.3179822787   1.2069630229   1.5364690217
O    1.4476175809  -1.4661458220  -1.5398868283
H    2.1352412633  -0.8486415386  -1.8054602199
H    1.5698264776  -1.5707033436  -0.5692139839
O   -0.3269891979   2.4954388904  -1.2128082698
H    0.4095415643   2.7538230768  -1.7740041271
H    0.0777051765   2.3466325762  -0.3287815890
O    1.7499262971  -1.7386208431   1.1479386083
H    0.9620827818  -1.2657665883   1.4918350355
H    1.5752786661  -2.6667544880   1.3306521599

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF106/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/ CONF106 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF106/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/ CONF106 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF106/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF106 water

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