%chk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization fenoxasulfone CONF46 water

0 1
Cl   0.6750106582  -3.4256068459  -0.8426102390
Cl  -2.8026503574   1.1885622086   1.4095940658
S    2.8389782195  -0.3795398287   0.0471024375
O    2.0636781166   3.2113151899   1.0752011224
O    2.6174534365  -0.7811248575  -1.3371683048
O    4.1780439216  -0.4547187594   0.6210611460
O   -3.6680659824  -0.8233950159  -0.4314408915
N    2.5792679423   1.9791370892   1.1737551901
C    1.3874228077   3.3990876512  -0.2249330012
C    1.4435832328   2.0002835505  -0.8661231161
C    2.2628973752   1.2931886333   0.1511154143
C    2.1931186921   4.4211502074  -1.0008148473
C   -0.0231083989   3.8657057679   0.0629249001
C    1.7306782327  -1.2945412384   1.1364587460
C    0.3114196471  -1.2176417669   0.6901230685
C   -0.2574120322  -2.1170666422  -0.2044803800
C   -0.5059979006  -0.1985951537   1.1773031632
C   -1.8210400407  -0.0845565638   0.7847752107
C   -1.5822835711  -2.0233499434  -0.6010722470
C   -2.3862111327  -0.9987940831  -0.1122340295
C   -4.3112977860  -1.7674927882  -1.2919109349
C   -5.7468623275  -1.3377413679  -1.4531146954
H    0.4583275514   1.5419694546  -0.9817811613
H    1.9235716474   2.0094453731  -1.8460573918
H    3.2187418002   4.0826505961  -1.1562456736
H    1.7402522894   4.5754486938  -1.9805129967
H    2.2167117238   5.3824793829  -0.4861803224
H   -0.5766329034   3.1281957901   0.6457670523
H   -0.0233962090   4.8115054062   0.6064629064
H   -0.5566162033   4.0206578540  -0.8750541076
H    1.8656532528  -0.8701119657   2.1324295939
H    2.1265477717  -2.3127491572   1.1509628688
H   -0.0975776365   0.5101517762   1.8867111280
H   -1.9785870325  -2.7547961143  -1.2910480599
H   -4.2528685124  -2.7671902631  -0.8517992600
H   -3.8048196175  -1.7924793741  -2.2609808371
H   -6.2722472530  -1.3265537687  -0.4981842911
H   -6.2579252793  -2.0433716274  -2.1073517053
H   -5.8211772662  -0.3490288242  -1.9061338035

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction fenoxasulfone CONF46 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=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 fenoxasulfone CONF46 water

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--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point fenoxasulfone CONF46 water

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