%chk=000236840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236840

0 1
S -4.211805 -0.012797 -0.449509
O 2.821018 -0.502392 -1.203895
O 3.921721 -2.096402 1.246982
O 3.179939 1.307246 1.611019
O 3.839117 2.924964 -0.428303
N 0.818805 -0.763318 0.015133
N -0.941010 0.643615 0.496398
N -0.459360 -2.528805 -1.227102
N -2.846085 -2.022323 -1.360693
N -5.970840 2.782968 0.830137
C 3.028539 -0.991587 1.144243
C 2.204127 -1.249030 -0.148998
C 3.837886 0.298916 0.843647
C 3.718344 0.517282 -0.686719
C 3.131686 1.874469 -1.102576
C -0.327059 -1.353324 -0.544122
C 0.374566 0.460325 0.622212
C -1.428152 -0.463550 -0.226611
C -2.701006 -0.864222 -0.675736
C -1.736053 -2.800559 -1.606189
C -3.749973 1.483348 0.479217
C -4.985285 2.199958 0.670871
H 2.413086 -0.885157 2.063108
H 2.208812 -2.312538 -0.507917
H 4.893753 0.219525 1.176056
H 4.679486 0.303513 -1.205086
H 2.085775 2.000895 -0.757174
H 3.165797 2.016170 -2.196390
H 4.080656 -2.324466 2.190143
H 3.527718 2.215045 1.365687
H 1.080000 1.120686 1.136367
H 4.707727 3.088727 -0.851300
H -1.910685 -3.735678 -2.166368
H -3.259881 1.227439 1.451376
H -2.994564 2.093355 -0.075509


%chk=000236840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236840

0 1
S -4.460839 -0.228406 -0.373545
O 2.732772 -0.312754 -1.256357
O 3.824125 -2.126256 1.045133
O 3.011963 1.453520 1.477372
O 4.477932 2.858962 -0.333532
N 0.678789 -0.637192 -0.015986
N -1.136627 0.673252 0.491756
N -0.463549 -2.495966 -1.180691
N -2.885618 -2.174886 -1.284610
N -6.292127 2.681092 1.094313
C 2.945602 -0.952833 1.069194
C 2.065720 -1.088518 -0.197327
C 3.755597 0.352297 0.862956
C 3.861156 0.473050 -0.685031
C 3.714264 1.923233 -1.193467
C -0.438654 -1.307773 -0.528038
C 0.197341 0.545158 0.576386
C -1.566017 -0.482209 -0.201617
C -2.825365 -0.985454 -0.620126
C -1.731405 -2.864908 -1.531517
C -4.033876 1.395804 0.551194
C -5.280867 2.097814 0.846488
H 2.347856 -0.897933 1.998007
H 2.010552 -2.140530 -0.524405
H 4.759748 0.265840 1.323082
H 4.801447 0.004378 -1.034723
H 2.662943 2.232992 -1.099474
H 4.020305 2.013366 -2.250679
H 4.335277 -2.174708 1.891747
H 3.501268 2.292392 1.235042
H 0.880413 1.246581 1.055277
H 5.427097 2.893779 -0.604774
H -1.839586 -3.812413 -2.065282
H -3.485813 1.147616 1.471839
H -3.375024 2.003910 -0.086208


