%chk=000236667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236667

0 1
S -4.462077 0.216273 0.555063
O 2.615877 -0.034205 1.294907
O 3.810711 1.821050 -0.994819
O 2.818392 -1.432077 -1.711395
O 5.524040 -2.163433 0.959812
N 0.618044 0.546961 0.205632
N -1.237311 -0.726102 -0.285271
N -0.535012 2.436437 1.381288
N -2.958241 2.128648 1.470204
C 2.805093 0.812234 -0.956906
C 2.034830 0.914208 0.394067
C 3.564272 -0.534603 -0.878732
C 3.441569 -1.004279 0.589860
C 4.778168 -1.007428 1.347291
C -0.487935 1.236266 0.729678
C 0.090727 -0.652769 -0.384865
C -1.649385 0.432023 0.404691
C -2.897753 0.943683 0.813831
C -1.795362 2.818388 1.723475
C -4.133510 -1.378968 -0.258397
C -5.478189 -2.018401 -0.314611
C -6.265311 -1.977557 -1.389272
H 2.150018 0.869302 -1.852813
H 2.117122 1.902175 0.914646
H 4.613504 -0.445302 -1.232103
H 2.911159 -1.977838 0.663068
H 4.614926 -0.979876 2.439914
H 5.432159 -0.159780 1.060819
H 3.446833 2.658167 -1.361458
H 3.408656 -2.115479 -2.096606
H 0.751010 -1.375365 -0.865263
H 5.205600 -2.956871 1.438841
H -1.903980 3.777158 2.258238
H -3.672639 -1.226058 -1.255897
H -3.403030 -1.983749 0.318162
H -5.782751 -2.536459 0.599238
H -7.238593 -2.446814 -1.426074
H -6.003630 -1.473259 -2.309443


%chk=000236667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236667

0 1
S -4.644753 0.819899 0.070313
O 2.421205 -0.538607 1.323056
O 3.951813 1.657700 -0.456428
O 2.690076 -1.489941 -1.719138
O 5.959101 -1.719098 0.791114
N 0.511089 0.388065 0.174336
N -1.421136 -0.526679 -0.648967
N -0.431564 2.262731 1.476771
N -2.873494 2.344870 1.346782
C 2.870426 0.704093 -0.715269
C 1.924689 0.586533 0.519405
C 3.541046 -0.681385 -0.829467
C 3.551083 -1.211913 0.621955
C 4.871616 -0.901906 1.357375
C -0.535631 1.170052 0.679151
C -0.082531 -0.614787 -0.611091
C -1.738671 0.592107 0.157423
C -2.946128 1.244828 0.534433
C -1.657038 2.795256 1.770528
C -4.513485 -0.777496 -1.008625
C -5.180722 -1.925331 -0.308116
C -6.312822 -2.533972 -0.747449
H 2.313796 0.951196 -1.637967
H 1.946886 1.499092 1.143400
H 4.564356 -0.583244 -1.232817
H 3.340195 -2.298485 0.654594
H 4.739785 -1.074726 2.442880
H 5.168798 0.144490 1.188073
H 3.589610 2.579257 -0.439627
H 3.174189 -2.314502 -1.971653
H 0.525334 -1.353859 -1.128812
H 5.913188 -2.633590 1.167641
H -1.666996 3.678780 2.414420
H -5.008659 -0.521386 -1.958579
H -3.436219 -0.949631 -1.171272
H -4.690757 -2.278298 0.609939
H -6.750499 -3.384419 -0.213537
H -6.829174 -2.199396 -1.655975


