%chk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF645/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization Terbufos CONF645 water

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S    2.2290287340   0.1393628256  -0.7519660546
S   -0.5076704163  -0.6659192778  -1.7124337459
S   -3.3758329792   0.6337936602  -0.8888873072
P   -1.6393650764   0.1941743860  -0.1867328381
O   -1.5605992644  -0.7713375060   1.0825984775
O   -0.7837567919   1.3833582386   0.4498527613
C    3.0784296289  -0.2140313592   0.8477631335
C    2.1164719206  -0.0703663519   2.0192102865
C    3.7082908277  -1.6001633009   0.8240150816
C    4.1616285561   0.8561058168   0.9336937721
C    1.0206769866  -1.2000844778  -0.8749553371
C   -2.5016774757  -1.8401010496   1.3117258085
C   -0.4854598293   2.5599264524  -0.3266113821
C   -2.3511589195  -2.9871096918   0.3433653540
C    0.4946126809   3.4024940350   0.4454991426
H    2.6521288793  -0.2523400761   2.9540029725
H    1.6915658321   0.9317516463   2.0662770376
H    1.2962203868  -0.7878086786   1.9780729852
H    2.9596989291  -2.3899025971   0.7425175048
H    4.2593216339  -1.7714564037   1.7521057214
H    4.4069926413  -1.7067151999  -0.0062255404
H    4.8749510001   0.7807165710   0.1117441534
H    3.7371152465   1.8618281971   0.9284459994
H    4.7157376576   0.7362633544   1.8667639508
H    1.3984057793  -2.0155750535  -1.4913162384
H    0.7817868058  -1.6158690708   0.1023471363
H   -2.2948297443  -2.1654860410   2.3293970781
H   -3.5150560644  -1.4358671131   1.2869396425
H   -0.0643114920   2.2680755457  -1.2911373715
H   -1.4132343044   3.1054537149  -0.5104128814
H   -2.6655443440  -2.7210687238  -0.6652341821
H   -1.3239345431  -3.3508693311   0.3053724797
H   -2.9835276204  -3.8087630364   0.6808450489
H    0.7064036902   4.3082851780  -0.1228848535
H    0.0940126733   3.7022004555   1.4138702385
H    1.4357967571   2.8748598130   0.5995906200

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF645/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 CONF645 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF645/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 CONF645 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF645/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point Terbufos CONF645 water

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