%chk=000240573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240573

0 1
S -0.348069 0.614999 -0.333694
O 4.467400 1.536867 -0.929270
N 2.287678 1.014431 -0.598143
N 1.619438 -0.972282 0.571671
C -2.716716 -0.329909 0.245848
C -1.295020 -0.725507 0.461601
C 3.991020 -0.515307 0.276608
C 1.331307 0.146168 -0.079093
C -3.400142 -0.754383 -0.905309
C -3.378583 0.467824 1.193424
C 3.703599 0.727572 -0.446963
C 2.968989 -1.295243 0.744759
C 5.428346 -0.853042 0.457309
C -4.733152 -0.385336 -1.102154
C -4.711687 0.833044 0.990038
C -5.390848 0.407681 -0.156238
H -1.018921 -0.812675 1.533157
H -1.036038 -1.705212 0.008613
H -2.892748 -1.370050 -1.647028
H -2.854422 0.804534 2.087015
H 2.022757 1.871294 -1.096213
H 3.137068 -2.231612 1.290438
H 5.955907 -0.056979 1.007978
H 5.938266 -0.947211 -0.515519
H 5.579893 -1.791623 1.004002
H -5.260546 -0.716452 -1.995867
H -5.222322 1.451564 1.727051
H -6.429652 0.693643 -0.312120


%chk=000240573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240573

0 1
S -0.283090 0.823111 -0.526295
O 4.714320 1.490207 -0.916482
N 2.436858 1.023452 -0.645222
N 1.616977 -0.885627 0.514340
C -2.759793 -0.282374 0.185590
C -1.290455 -0.592247 0.309226
C 4.051470 -0.523099 0.304734
C 1.403843 0.233749 -0.166999
C -3.501167 -0.737387 -0.935856
C -3.426401 0.464110 1.191967
C 3.826800 0.713544 -0.452973
C 2.946415 -1.244642 0.738785
C 5.476981 -0.934884 0.563893
C -4.880846 -0.457507 -1.046644
C -4.805953 0.744982 1.083000
C -5.536831 0.284859 -0.037123
H -0.932681 -0.631700 1.348304
H -0.990039 -1.514513 -0.209093
H -2.994165 -1.312133 -1.720153
H -2.861505 0.822650 2.060717
H 2.247088 1.884439 -1.171315
H 3.078876 -2.173063 1.305198
H 6.016476 -0.147236 1.121194
H 6.024595 -1.068468 -0.387067
H 5.525402 -1.875342 1.138363
H -5.442939 -0.817919 -1.915109
H -5.309957 1.318499 1.868598
H -6.607477 0.501334 -0.121678


