%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/oxycarborxin/water/CONF2/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization oxycarborxin CONF2 water

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S   -1.6358372518   1.2971078776   0.2093092883
O   -3.5643770283  -1.0680150266  -0.1079941867
O   -1.5020566488   1.6764191189   1.6139945781
O   -0.8500924212   2.0704084548  -0.7618827312
O    0.4216826803  -1.8678172317   0.7895048406
N    1.0656126847  -0.0091994639  -0.3455329789
C   -3.3474220687   1.3389884821  -0.2583729301
C   -1.2738597986  -0.4152084224   0.0221469333
C   -4.0387375147   0.1760612837   0.4016084344
C   -2.2666802685  -1.3322703305  -0.1473991385
C    0.1442739380  -0.8407489800   0.1917128602
C   -2.0321696307  -2.7746712090  -0.4427294449
C    2.4603128928  -0.0485285595  -0.2102793417
C    3.1857405645  -1.1688518792   0.1936346112
C    3.1440090788   1.1257958344  -0.5338087708
C    4.5702709898  -1.0927005639   0.2785746827
C    4.5235919615   1.1849919708  -0.4492475946
C    5.2485888950   0.0741690171  -0.0375162393
H   -3.4124491422   1.2979380911  -1.3457352096
H   -3.7569984984   2.2875314469   0.0920856634
H   -3.9110732227   0.1921069154   1.4866041074
H   -5.1025912463   0.2033204774   0.1827364936
H   -1.1077011592  -2.9493936882  -0.9830122937
H   -2.8604100583  -3.1563067909  -1.0374590234
H   -2.0010574663  -3.3456719484   0.4856364718
H    0.7134631166   0.7978711004  -0.8447868262
H    2.6951288943  -2.0979793254   0.4311471361
H    2.5894999291   2.0013946986  -0.8502820401
H    5.1209929877  -1.9695136113   0.5930351976
H    5.0311049513   2.1057846481  -0.7041940979
H    6.3270563944   0.1178956882   0.0312991596

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/oxycarborxin/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 oxycarborxin CONF2 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/oxycarborxin/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 oxycarborxin CONF2 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/oxycarborxin/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 oxycarborxin CONF2 water

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