%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/water/CONF19/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 8h2O-BF3/ CONF19 water

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 B,0,1.5395012412,-1.3977449468,0.5489826238
 F,0,2.2739763984,-2.4339128658,1.1250210594
 F,0,2.2679034593,-0.1909072783,0.606609446
 F,0,1.2217048181,-1.7172042866,-0.7848374093
 O,0,0.2691641556,-1.2056213783,1.3194763936
 H,0,0.042429822,-0.2483244367,1.5987690809
 H,0,-0.5729747784,-1.6023211681,0.8812441007
 H,0,2.2099364208,1.1209317732,-0.7445606854
 H,0,-1.6054190153,1.0840186822,-1.8741348231
 O,0,-1.9096079395,-2.0273295899,0.2824936477
 H,0,-2.4272532792,-1.1953718353,0.4382184112
 O,0,-0.5065739843,1.123952742,2.0214879337
 H,0,-0.3516971915,1.8351725254,1.342374423
 H,0,-1.8034779982,-2.0910022669,-0.6760312592
 H,0,-0.1640114754,1.4556671748,2.8611056063
 O,0,1.8464317342,1.7701582838,-1.3691409522
 H,0,2.6030371042,2.1693127761,-1.8164022903
 O,0,-2.2729150502,1.6666647563,-1.4389862016
 H,0,-2.8130338959,2.042497845,-2.1446422766
 O,0,-0.2606926321,2.9336899292,0.0560642303
 H,0,0.5234813069,2.644110268,-0.4515414547
 H,0,-1.0200840756,2.6347688455,-0.4840458642
 O,0,-0.2088826778,0.182348848,-2.4347945411
 H,0,-0.021035948,-0.6160601248,-1.9190997412
 H,0,0.5269190203,0.7808090073,-2.1931724407
 O,0,-3.0375112175,0.3654008362,0.8810234573
 H,0,-2.8827424209,0.8549544532,0.045428972
 H,0,-2.3035804302,0.6518042274,1.4540945101

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/water/CONF19/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 8h2O-BF3/ CONF19 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/water/CONF19/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 8h2O-BF3/ CONF19 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/water/CONF19/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 8h2O-BF3/ CONF19 water

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