%chk=/home/apulgar/almacen/pesticidas/F2-F4/quintozene/gaussian/water/CONF2/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization quintozene CONF2 water

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Cl  -1.4479119142   2.6657783575   0.0796025853
Cl  -1.4471925300  -2.6658125813  -0.0794215555
Cl   1.6743424565  -2.6844314418  -0.0834458239
Cl   1.6737275230   2.6851403636   0.0837760012
Cl   3.2204431308   0.0005298881  -0.0000304627
O   -3.2298405485   0.0460390840  -1.0733045896
O   -3.2303713262  -0.0493984160   1.0723117134
N   -2.6898591750   0.0001581694  -0.0002630528
C   -1.2300599281   0.0000672635   0.0000007290
C   -0.5633448159   1.2079533138   0.0354431624
C   -0.5630642749  -1.2077094004  -0.0353325707
C    0.8267689882  -1.2086343507  -0.0367668217
C    0.8264816487   1.2091683807   0.0368921318
C    1.5172483354   0.0003471919   0.0000011670

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/F2-F4/quintozene/gaussian/water/CONF2/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 CONF2 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/F2-F4/quintozene/gaussian/water/CONF2/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 CONF2 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/F2-F4/quintozene/gaussian/water/CONF2/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point quintozene CONF2 water

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