%chk=/home/apulgar/almacen/pesticidas/G1_new2/Phenthoate/gaussian/gas/CONF251/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq

Optimization Phenthoate CONF251 gas

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S    0.4888596697  -0.4843582871   0.9583004334
S    3.4105134501   0.8842545764   1.4458091268
P    1.9791353791   0.7588083032   0.1881189184
O   -0.4939180648  -2.6613699280  -1.1114691465
O    1.2412260288   2.0910361167  -0.2935324114
O    2.2971944875   0.2012509796  -1.2810977971
O   -2.3352468157  -2.1987153619   0.0827037502
C   -0.7520305430  -0.4467887877  -0.4158829121
C   -1.7785797045   0.6274655450  -0.2321833527
C   -1.3163263177  -1.8579211456  -0.4444584736
C   -1.9455790156   1.5774142402  -1.2324293846
C   -2.5523045971   0.7170086757   0.9218675925
C   -2.8735769854   2.5994857282  -1.0913163173
C   -3.4772786602   1.7374670505   1.0636902911
C   -3.6419505169   2.6813394029   0.0582137601
C   -0.7649060193  -4.0672826244  -1.0891872995
C   -0.2796687439  -4.7115999406   0.1923246983
C    0.7117170239   2.9895957664   0.6772149710
C    3.0309726937  -1.0114318533  -1.4114859977
H   -0.2002628537  -0.2835990595  -1.3432444322
H   -1.3388441303   1.5258310743  -2.1282420693
H   -2.4276736204  -0.0055282859   1.7168736433
H   -2.9910856961   3.3312343843  -1.8796503464
H   -4.0740721261   1.7975576794   1.9641508671
H   -4.3653070645   3.4776989093   0.1740691028
H   -1.8295801608  -4.2493282276  -1.2424480062
H   -0.2261489240  -4.4634418099  -1.9490742182
H   -0.4094595648  -5.7921391855   0.1276838588
H    0.7781865211  -4.5110473488   0.3610493010
H   -0.8410777451  -4.3621271618   1.0571885880
H    1.4961858590   3.3483129273   1.3447491366
H   -0.0789880335   2.5170863122   1.2629774637
H    0.2880339518   3.8250901754   0.1266564400
H    2.4513863535  -1.8599683261  -1.0427030896
H    3.9775828112  -0.9594996854  -0.8716893099
H    3.2265908359  -1.1455149085  -2.4722999489

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Phenthoate/gaussian/gas/CONF251/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx

Wavefunction Phenthoate CONF251 gas

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Phenthoate/gaussian/gas/CONF251/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum Phenthoate CONF251 gas

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Phenthoate/gaussian/gas/CONF251/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read

Single Point Phenthoate CONF251 gas

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