%chk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF611/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization Terbufos CONF611 water

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S    1.8697193910  -1.0961211453  -0.9039216409
S    0.6664501043   1.4419591768   0.3900307476
S   -1.3062063937   1.0297436103  -2.3828938532
P   -1.1519238896   0.8910197039  -0.4692950586
O   -1.5095115331  -0.5964225541   0.0008569331
O   -2.0614554601   1.8623813015   0.4255812244
C    3.1423562726  -1.5708123925   0.3451450616
C    2.8685818622  -0.9296816565   1.6968693399
C    3.0096732746  -3.0870593825   0.4475375805
C    4.5291244942  -1.1970199435  -0.1584170587
C    1.8166803864   0.6953449070  -0.8237298875
C   -1.5432945368  -0.9766310699   1.3923216777
C   -3.4736782119   1.9881352476   0.1377270319
C   -1.2166525860  -2.4422238429   1.4960594163
C   -4.1452363907   2.5929700599   1.3401579220
H    3.5688640384  -1.3319565206   2.4326274455
H    3.0119333865   0.1511320612   1.6772819746
H    1.8563505832  -1.1351046897   2.0460408150
H    3.1448834223  -3.5763135401  -0.5190316567
H    2.0366703652  -3.3799146001   0.8456456541
H    3.7768955527  -3.4745932235   1.1211763407
H    4.6344817866  -0.1211188147  -0.3110337790
H    5.2824613194  -1.4952163375   0.5752061287
H    4.7603069256  -1.6976372730  -1.0990559265
H    2.7947035940   1.1117193898  -0.5788491981
H    1.5489293150   1.0652316699  -1.8135567751
H   -0.8242432841  -0.3884260268   1.9665091039
H   -2.5396998547  -0.7648976655   1.7826644636
H   -3.5928051868   2.6216845527  -0.7419983343
H   -3.9028171904   1.0102650443  -0.0892466250
H   -1.2619700256  -2.7459495329   2.5420432432
H   -1.9276295020  -3.0541944480   0.9416187878
H   -0.2127909466  -2.6498745100   1.1259378918
H   -4.0608842087   1.9452382099   2.2123135574
H   -3.7253723187   3.5685483148   1.5841473006
H   -5.2047945725   2.7306432417   1.1230607262

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF611/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction Terbufos CONF611 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF611/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum Terbufos CONF611 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF611/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point Terbufos CONF611 water

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