%chk=000229615.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229615

0 1
S -0.328776 -0.404068 0.051077
O -0.353947 -1.742441 0.612142
O -0.105029 0.731012 0.923783
N 0.833450 -0.392616 -1.221291
C -3.020186 -0.225113 0.089266
C -1.816765 -0.132122 -0.851785
C -4.340291 -0.013320 -0.666203
C -5.542501 -0.107442 0.283096
C -6.865203 0.102853 -0.466028
C 1.722820 -1.572978 -1.370371
C 1.371029 0.915229 -1.674111
C -8.066704 0.008660 0.483824
C -9.391657 0.218498 -0.262774
C 2.836188 -1.716025 -0.354384
C 2.653476 1.401423 -1.034585
C -10.590527 0.125649 0.678469
C 4.153796 -1.388845 -0.706762
C 3.774181 1.638961 -1.846042
C 2.571165 -2.228224 0.923466
C 2.723051 1.669800 0.338661
C 5.190954 -1.555891 0.215058
C 4.955692 2.130136 -1.284123
C 3.609738 -2.392868 1.843489
C 3.909030 2.153760 0.897317
C 4.920935 -2.056572 1.492490
C 5.026664 2.384872 0.089110
H -2.930950 0.530834 0.899177
H -3.035278 -1.216771 0.592254
H -1.927885 -0.865906 -1.677657
H -1.815764 0.852175 -1.361703
H -4.439319 -0.764694 -1.473343
H -4.335047 0.972930 -1.169138
H -5.445270 0.643024 1.091878
H -5.549177 -1.093342 0.787898
H -6.860847 1.088866 -0.969469
H -6.964878 -0.648202 -1.273309
H 2.149840 -1.548017 -2.400948
H 1.073121 -2.484685 -1.328208
H 0.587976 1.697336 -1.519060
H 1.507879 0.837373 -2.781590
H -7.969610 0.758638 1.292347
H -8.073435 -0.976454 0.988922
H -9.491983 -0.532993 -1.070231
H -9.387987 1.205006 -0.766335
H -10.542192 0.882152 1.470035
H -11.531448 0.276747 0.137697
H -10.646341 -0.854324 1.166065
H 4.372744 -0.989757 -1.695548
H 3.729207 1.442290 -2.914669
H 1.546288 -2.501449 1.205116
H 1.847022 1.502018 0.979195
H 6.209087 -1.290767 -0.061931
H 5.821513 2.313869 -1.916691
H 3.393940 -2.784287 2.836117
H 3.959317 2.350279 1.967323
H 5.727830 -2.183638 2.210559
H 5.947867 2.762323 0.527157


%chk=000229615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229615

0 1
S -0.328384 -0.670901 0.127764
O -0.325199 -2.215856 0.662728
O -0.227186 0.574824 1.185277
N 0.946724 -0.555546 -1.229212
C -3.155639 -0.402732 0.078249
C -1.962131 -0.419260 -0.875515
C -4.475596 -0.147131 -0.694093
C -5.705176 -0.138266 0.243287
C -7.030763 0.130352 -0.504096
C 1.882472 -1.716007 -1.300073
C 1.373055 0.833819 -1.558308
C -8.263686 0.137138 0.427824
C -9.590130 0.408940 -0.318320
C 3.088929 -1.777338 -0.361065
C 2.649157 1.408445 -0.942437
C -10.817252 0.414224 0.618782
C 4.396079 -1.546318 -0.856177
C 3.691280 1.845246 -1.796587
C 2.925404 -2.131977 1.003636
C 2.786329 1.580478 0.458523
C 5.519993 -1.644678 -0.006236
C 4.859995 2.438547 -1.266162
C 4.047479 -2.227698 1.855667
C 3.956124 2.164643 0.989177
C 5.347875 -1.982634 1.355500
C 4.996323 2.595800 0.131364
H -3.010209 0.386962 0.839954
H -3.217713 -1.370273 0.611961
H -1.947705 -1.268188 -1.576955
H -1.803739 0.535085 -1.404413
H -4.612833 -0.927021 -1.471056
H -4.413640 0.824295 -1.226670
H -5.562135 0.632743 1.028133
H -5.771156 -1.112131 0.770630
H -6.964818 1.105749 -1.030280
H -7.171972 -0.639351 -1.291622
H 2.226438 -1.725008 -2.354130
H 1.253795 -2.612494 -1.147879
H 0.521708 1.491482 -1.291883
H 1.463196 0.859684 -2.663648
H -8.124315 0.905212 1.217109
H -8.333714 -0.838335 0.953066
H -9.728176 -0.359067 -1.106758
H -9.519408 1.383641 -0.843192
H -10.717216 1.193476 1.397831
H -11.752139 0.610679 0.062366
H -10.927801 -0.559582 1.132234
H 4.536116 -1.277630 -1.911017
H 3.588760 1.725993 -2.883536
H 1.919449 -2.340055 1.387270
H 1.975459 1.255617 1.121538
H 6.523381 -1.454280 -0.403595
H 5.657718 2.774086 -1.938854
H 3.907509 -2.501532 2.907704
H 4.056356 2.285398 2.073751
H 6.217435 -2.058794 2.018440
H 5.902094 3.050424 0.548706


