%chk=/home/apulgar/almacen/pesticidas/G1/Trichlorfon/gaussian/water/CONF11/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization Trichlorfon CONF11 water

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Cl   1.0258626924   1.5669966963  -1.0689156052
Cl   2.8429022645   0.6762839079   0.9753622734
Cl   1.9114343277  -1.1794704123  -1.0033312029
P   -1.3121458313  -0.5253291515   0.0144196529
O   -2.0349659608   0.8961679681  -0.0872628366
O   -2.0635140352  -1.2365171730   1.2268409933
O    0.0629830947   0.8146901729   1.8802069185
O   -1.2359623945  -1.2829236757  -1.2575665517
C    0.2767902529  -0.1557863285   0.9048629569
C    1.4544112421   0.2044405656  -0.0139527123
C   -2.3879951198   1.5374319772  -1.3194000755
C   -3.4436752217  -1.6112148014   1.0975949483
H    0.5646166603  -1.0752271519   1.4241318464
H   -0.3007249184   1.6202908307   1.4899781232
H   -1.9576958760   2.5351247185  -1.3239127501
H   -3.4716220403   1.6124591398  -1.3676991535
H   -2.0329701675   0.9900921268  -2.1898599210
H   -3.6959492711  -2.1881909967   1.9826130197
H   -3.6063853745  -2.2269979457   0.2134253796
H   -4.0834608717  -0.7306040548   1.0506698183

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Trichlorfon/gaussian/water/CONF11/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction Trichlorfon CONF11 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Trichlorfon/gaussian/water/CONF11/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 Trichlorfon CONF11 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1/Trichlorfon/gaussian/water/CONF11/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point Trichlorfon CONF11 water

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