%chk=000191983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191983

0 1
S -3.507294 0.445676 0.563549
P -2.077797 -0.604613 1.145764
O 1.007300 2.156499 -0.955261
O 2.884643 -0.044802 -2.507258
O 0.735600 -1.086429 -1.670256
O -0.615273 0.015256 1.552451
O -1.487147 -1.758622 0.068144
O -2.323930 -1.529984 2.474228
O -5.743673 -5.112739 -3.100387
O -4.724824 -4.126714 -4.734917
N 3.146339 2.544294 -0.060695
N 4.190588 4.259114 1.076296
N 3.160309 0.832366 1.784726
N 4.243626 1.654436 3.821815
N 5.134716 3.836277 4.018950
N -4.901989 -4.352185 -3.549205
C 2.596466 0.337095 -1.177407
C 1.254291 -0.233005 -0.645525
C 2.406782 1.884971 -1.151072
C 0.292885 0.972306 -0.519919
C -0.165065 1.241476 0.919946
C 3.419037 2.061975 1.227975
C 3.627259 3.905242 -0.078406
C 4.081802 3.136858 1.917187
C 4.498634 2.894269 3.260652
C 3.603774 0.710983 3.068529
C -2.404277 -2.356056 -0.785219
C -3.381108 -3.233702 -0.291379
C -2.218153 -2.113911 -2.155638
C -4.203343 -3.885131 -1.208013
C -3.042294 -2.772664 -3.062341
C -4.028681 -3.654836 -2.584094
H 3.481490 -0.008577 -0.592894
H 1.382378 -0.786199 0.310339
H 2.655731 2.373217 -2.126499
H -0.552988 0.897173 -1.243474
H 0.689872 1.517282 1.578753
H -0.930917 2.038280 0.975562
H 2.068329 -0.374142 -2.974550
H 0.384666 -1.919284 -1.268597
H 3.523374 4.523789 -0.960730
H 3.426613 -0.260142 3.563460
H 5.344292 4.745285 3.632964
H 5.427390 3.630144 4.962001
H -1.502848 -1.882834 2.933634
H -3.498595 -3.409340 0.779849
H -1.444208 -1.416279 -2.490519
H -4.984480 -4.577114 -0.867929
H -2.935104 -2.610562 -4.142389


%chk=000191983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191983

0 1
S -3.901698 0.607147 0.534919
P -2.430489 -0.691390 1.067481
O 0.920378 2.407740 -0.344962
O 2.183170 0.504599 -2.590794
O 0.796989 -1.122997 -1.151111
O -0.902009 -0.178138 1.666550
O -1.764093 -1.732931 -0.225850
O -2.823258 -1.819325 2.298304
O -5.919478 -5.443496 -3.367646
O -4.470379 -4.903264 -5.045995
N 3.274334 2.733608 0.075248
N 4.890336 4.164823 0.870507
N 3.043762 1.254248 2.077381
N 4.566789 1.922497 3.891378
N 6.037851 3.763717 3.717376
N -4.871907 -4.839118 -3.820265
C 2.423543 0.675524 -1.164673
C 1.294528 -0.013101 -0.341102
C 2.284053 2.188665 -0.861472
C 0.239133 1.107958 -0.129302
C -0.329939 1.154612 1.296210
C 3.575964 2.299364 1.374470
C 4.088824 3.858923 -0.161373
C 4.577272 3.193683 1.840891
C 5.075244 2.971387 3.158439
C 3.601920 1.141398 3.322909
C -2.593536 -2.486298 -1.097178
C -3.740563 -3.165873 -0.622892
C -2.183651 -2.563122 -2.448378
C -4.495166 -3.937642 -1.525134
C -2.931515 -3.345738 -3.346234
C -4.079487 -4.019402 -2.872480
H 3.424084 0.292855 -0.891341
H 1.690584 -0.362839 0.626459
H 2.389527 2.748189 -1.806631
H -0.567480 1.014068 -0.885026
H 0.485351 1.293218 2.022465
H -1.104670 1.934061 1.407727
H 1.634751 -0.327621 -2.672732
H -0.042415 -1.490387 -0.749832
H 4.047815 4.401948 -1.103650
H 3.228942 0.322269 3.945248
H 6.422765 4.544022 3.188701
H 6.357815 3.561668 4.662518
H -2.047227 -2.081896 2.863276
H -4.027659 -3.103163 0.431646
H -1.295848 -2.016261 -2.779249
H -5.389165 -4.478221 -1.204255
H -2.649898 -3.435572 -4.398345


