%chk=/home/apulgar/almacen/pesticidas/F2-F4/quintozene/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization quintozene CONF1 water

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Cl  -1.4233675077   2.6860954788  -0.0885103202
Cl  -1.4227621835  -2.6860963674   0.0878889511
Cl   1.6742485148  -2.6801360033   0.0729525171
Cl   1.6736338506   2.6808286032  -0.0725929814
Cl   3.2132162900   0.0005144216   0.0003747424
O   -3.2503689974   0.5271107003   0.9329479749
O   -3.2500881825  -0.5303134016  -0.9323799205
N   -2.7051536965   0.0000125207  -0.0006605543
C   -1.2457683753   0.0000333722  -0.0003901592
C   -0.5713315810   1.2099204318  -0.0226552152
C   -0.5710593381  -1.2097214816   0.0221595881
C    0.8195956501  -1.2074063988   0.0295977764
C    0.8193196635   1.2078990308  -0.0295886761
C    1.5107284674   0.0003250136   0.0001150555

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/F2-F4/quintozene/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction quintozene CONF1 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/F2-F4/quintozene/gaussian/water/CONF1/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 quintozene CONF1 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/F2-F4/quintozene/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point quintozene CONF1 water

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