%chk=000250953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250953

0 1
S -2.490730 -0.536202 0.580871
S 0.204491 -1.521409 0.187500
O -0.295488 -1.841836 -1.161300
O 0.432117 -2.640425 1.085206
N -0.892670 -0.446304 0.827073
C -4.730137 1.374497 -0.496862
C -4.516211 1.200864 1.013003
C -4.300844 0.140975 -1.303827
C -3.053171 1.000700 1.376648
C -2.817845 -0.151117 -1.157743
C 1.661897 -0.597164 0.050533
C 2.342852 -0.178899 1.196473
C 2.159686 -0.273855 -1.215323
C 4.024256 0.889574 -0.188966
C 3.520715 0.563104 1.081167
C 3.336625 0.465454 -1.339464
C 5.293109 1.666841 -0.316766
H -5.799414 1.588232 -0.693362
H -4.177474 2.266273 -0.854115
H -4.901829 2.098042 1.542830
H -5.131382 0.356879 1.388489
H -4.905753 -0.740496 -1.006943
H -4.536816 0.303647 -2.377224
H -2.426181 1.862421 1.076286
H -2.904810 0.901262 2.469436
H -2.488848 -1.024302 -1.769216
H -2.195194 0.685403 -1.524593
H 1.958382 -0.433314 2.189003
H 1.625298 -0.607332 -2.113148
H 4.047969 0.883345 1.976481
H 3.722022 0.709025 -2.326434
H 5.324231 2.272637 -1.232347
H 5.452707 2.351211 0.527397
H 6.159443 0.987767 -0.349559


%chk=000250953-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250953

0 1
S -2.560899 -0.541725 0.599068
S 0.243542 -1.411659 0.480324
O -0.235650 -2.104416 -0.939925
O 0.477913 -2.392642 1.768003
N -0.837144 0.070838 0.799772
C -4.996551 1.315904 -0.617433
C -4.818575 1.152587 0.913019
C -4.474716 0.101389 -1.424353
C -3.353328 1.013186 1.356116
C -2.969924 -0.137210 -1.243113
C 1.851500 -0.469122 0.203104
C 2.770320 -0.408218 1.261745
C 2.093693 0.099553 -1.056958
C 4.281662 0.866596 -0.213445
C 3.989884 0.269738 1.041348
C 3.320718 0.770076 -1.255361
C 5.610678 1.562362 -0.448799
H -6.069204 1.468304 -0.839198
H -4.466486 2.230991 -0.951267
H -5.233358 2.039433 1.431141
H -5.404340 0.281775 1.268237
H -5.040065 -0.809918 -1.144508
H -4.662941 0.262244 -2.504066
H -2.708345 1.840837 1.014963
H -3.235570 0.879458 2.442266
H -2.568846 -1.008455 -1.784016
H -2.350585 0.751228 -1.455598
H 2.536693 -0.892882 2.215364
H 1.354207 0.000794 -1.857860
H 4.723637 0.334563 1.853350
H 3.535566 1.222777 -2.230608
H 5.521965 2.363555 -1.203173
H 6.005645 2.007885 0.480897
H 6.369906 0.845670 -0.817831


