%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF168/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF168 water

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O   -1.6358126856   1.1545501093   0.1220314938
H   -0.8184507603   1.6937849807   0.0866106760
H   -1.6292631417   0.6225086153  -0.7007612662
H    2.2161259637   0.2263116852   1.0695952379
O   -0.8297627071  -0.6599836881   1.9155504471
H   -0.3971027688  -0.1504238289   2.6080432205
O   -1.6761930239  -0.3985912935  -2.1799783560
H   -1.2540380223  -1.2558921184  -1.9636906386
H   -1.2055097613   0.0237731409   1.3050567369
H   -2.6080787599  -0.6104854539  -2.2895363199
O    2.5533162256   1.0749609708   1.4041119536
H    3.3501150493   1.2327553525   0.8879386921
O   -0.4060242491  -2.7833450991  -1.5439951305
H    0.2127478138  -2.3819070857  -0.9087672738
H    0.1339623779  -2.9576432798  -2.3209796560
O    1.1830174221  -1.1354347063   0.1821732304
H    0.4570037726  -1.0367873997   0.8469584039
H    0.9693552392  -0.4731586829  -0.4849347493
O    0.6853247774   2.6751218020   0.1198595187
H    1.3492166842   2.1337237949   0.5959176924
H    0.4784299799   3.3904991254   0.7279831086

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF168/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/ CONF168 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF168/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/ CONF168 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF168/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF168 water

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