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

Optimization thiophanate CONF28 water

-1 1
S    0.6632575944   3.2903052700  -0.1593881321
S   -0.6789989219  -2.8799838541  -0.4308512659
O    0.9257765775   0.0738721106  -2.9574804972
O    2.8065759916  -0.8854129875   2.0857733736
O    2.0239290884   0.4025171465  -1.0276434600
O    0.9450722437   0.3428234085   2.3498186238
N   -1.5613500384   1.9651949626   0.2244503838
N   -1.1491804555  -0.6747742180   1.0145572051
N   -0.1999934647   0.9774970481  -1.2975643662
N    0.9269436976  -1.6515098983   1.2193289739
C   -2.5772209995   1.0079267699   0.0637702010
C   -2.3770204145  -0.3309407612   0.4264691790
C   -3.8288704247   1.4035955954  -0.3966343375
C   -3.4125523697  -1.2470998000   0.2928208034
C   -4.8601138381   0.4872029746  -0.5254797925
C   -4.6466562009  -0.8425216641  -0.1913172282
C   -0.3602309602   1.9650027826  -0.4436106620
C   -0.3285110363  -1.6562395499   0.6383886883
C    0.9927981515   0.5165822395  -1.6789176609
C    1.5244175242  -0.6338440416   1.9206964703
C    2.0542275062  -0.6046697376  -3.5065293513
C    3.6103187008   0.1144995885   2.7464746596
C    2.1007062584  -2.0661430556  -3.1202536224
C    3.9869178457   1.2453669950   1.8187569905
H   -3.9843438534   2.4408785794  -0.6658695698
H   -3.2574379752  -2.2735837988   0.5902969110
H   -1.8340881647   2.8517865040   0.6206684956
H   -0.7327258662   0.0487983929   1.5970325345
H   -5.8249098073   0.8112857991  -0.8921056073
H   -5.4456271255  -1.5654786765  -0.2866578689
H    1.5266706479  -2.4017444121   0.9020300670
H    2.9830070888  -0.1008497386  -3.2367293739
H    1.9391093638  -0.5104617303  -4.5857232353
H    4.4949758407  -0.4297506138   3.0695981843
H    3.0966199550   0.4758425971   3.6376697032
H    1.1919754930  -2.5844222780  -3.4244439789
H    2.9412090853  -2.5449156679  -3.6241031391
H    2.2277011557  -2.2069313192  -2.0480015289
H    3.1251637391   1.8276416219   1.4911450816
H    4.6576191685   1.9192599300   2.3523865960
H    4.5173855854   0.8783514370   0.9404517930

--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 thiophanate CONF28 water

-1 1

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 thiophanate CONF28 water

-1 1

--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 thiophanate CONF28 water

-1 1