%chk=000234311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234311

0 1
S -0.621304 0.695539 0.636430
O 2.296083 -0.015972 0.494779
O -0.368232 0.603010 2.048170
O -0.192139 1.841674 -0.117174
N 0.109839 -0.720523 -0.114464
N 3.517131 -1.701847 -0.376695
N 2.210395 -1.969958 -0.652767
C -2.260544 0.323916 0.290088
C 4.714075 0.239523 0.854325
C 5.341057 1.165443 -0.203680
C 3.605702 -0.557525 0.296986
C -3.022742 -0.415061 1.205116
C -2.853229 0.790619 -0.891145
C -4.952412 -0.248705 -0.256942
C 1.465349 -0.961649 -0.133269
C -4.358211 -0.704442 0.934527
C -4.188175 0.504552 -1.167497
C 6.163761 0.397770 -1.231715
C -6.384173 -0.544598 -0.543211
H 4.341137 0.844001 1.712706
H 5.487229 -0.447274 1.270352
H 4.542722 1.744993 -0.711581
H 5.978574 1.913105 0.309172
H -0.450410 -1.447625 -0.587305
H -2.569887 -0.761766 2.142432
H -2.267283 1.390228 -1.598948
H -4.944683 -1.279544 1.650168
H -4.642437 0.870287 -2.087661
H 7.022541 -0.106694 -0.774759
H 5.565407 -0.380074 -1.728518
H 6.546805 1.063259 -2.013068
H -6.595499 -0.617825 -1.619911
H -6.722844 -1.486345 -0.087518
H -7.033601 0.252807 -0.145228


%chk=000234311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234311

0 1
S -0.208020 0.085023 -2.613958
O 1.861239 -1.125436 -0.232747
O 0.857217 1.258817 -2.247053
O -0.841204 -0.101651 -4.100442
N 0.674051 -1.703522 -2.222708
N 3.983606 -1.692517 -0.851287
N 3.119905 -1.931249 -1.974377
C -1.596439 0.112167 -1.356214
C 3.644764 -0.679345 1.469223
C 3.176403 0.782498 1.728067
C 3.228259 -1.194529 0.133534
C -1.328837 0.642057 -0.083998
C -2.848414 -0.385108 -1.749334
C -3.682716 0.185092 0.502417
C 1.877091 -1.600485 -1.571985
C -2.392028 0.672124 0.843430
C -3.892868 -0.340187 -0.800444
C 3.680223 1.784039 0.667344
C -4.821651 0.254345 1.501973
H 3.246237 -1.340141 2.263906
H 4.746417 -0.743776 1.504993
H 2.070218 0.803714 1.768992
H 3.539557 1.076362 2.731384
H 0.770756 -2.133630 -3.161369
H -0.333569 1.022304 0.165845
H -3.002947 -0.775505 -2.760052
H -2.216011 1.078948 1.845634
H -4.883030 -0.718885 -1.077402
H 4.782267 1.755256 0.582470
H 3.256258 1.565336 -0.329682
H 3.386953 2.815383 0.933597
H -5.584587 -0.517870 1.304413
H -4.461706 0.125711 2.537454
H -5.327392 1.237958 1.450569


