%chk=000280470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280470

0 1
S -0.375362 -2.356278 0.067174
O 0.240108 -2.651379 -1.212561
O -1.040514 -3.436050 0.776371
N 1.630236 -0.802341 0.606202
N 0.869455 -1.859615 1.180324
C 3.430129 1.056270 -0.878575
C 3.077298 2.030900 0.253029
C 3.949180 -0.289222 -0.354959
C 1.823258 1.616366 1.030022
C 2.851712 -1.331130 -0.106730
C 1.929266 0.221676 1.669208
C -1.423814 -1.001526 -0.065256
C -1.066363 0.088879 -0.864983
C -2.639536 -0.989807 0.630144
C -3.140150 1.203267 -0.279193
C -1.919420 1.189146 -0.973290
C -3.496118 0.104276 0.524899
C -4.065999 2.368227 -0.391751
H 2.543800 0.891016 -1.522947
H 4.197861 1.517153 -1.529555
H 3.935233 2.127906 0.946213
H 2.921138 3.042123 -0.172071
H 4.661288 -0.717830 -1.090075
H 4.538865 -0.130379 0.569148
H 1.621241 2.358614 1.826454
H 0.939752 1.644020 0.358642
H 2.465378 -1.713301 -1.087992
H 3.301982 -2.204385 0.414525
H 2.919482 0.075782 2.144308
H 1.173854 0.137817 2.484265
H 1.395712 -2.596834 1.677291
H -0.113696 0.081485 -1.408361
H -2.920050 -1.846894 1.255029
H -1.636779 2.032164 -1.599733
H -4.441414 0.107825 1.063447
H -4.992729 2.085694 -0.915064
H -4.360175 2.749442 0.597219
H -3.630809 3.211321 -0.944618


%chk=000280470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280470

0 1
S -0.660162 1.015256 1.386915
O 0.335917 1.589031 0.187391
O -0.344267 -0.765727 1.618216
N 2.933250 -0.967865 1.503172
N 2.113833 -0.917375 2.463951
C 3.490415 1.042098 -0.713595
C 4.731717 1.364245 0.156682
C 3.318390 -0.472326 -1.011011
C 4.686444 0.833703 1.609079
C 2.529480 -1.263627 0.052028
C 4.408036 -0.681946 1.743685
C -2.295647 0.737541 0.483253
C -2.404258 1.244815 -0.820407
C -3.354569 0.062388 1.118276
C -4.721908 0.405908 -0.906877
C -3.624761 1.071992 -1.511602
C -4.566212 -0.100545 0.412240
C -6.040417 0.245902 -1.643499
H 2.561596 1.433927 -0.253661
H 3.607633 1.573314 -1.677996
H 5.634227 0.956759 -0.346638
H 4.867272 2.462767 0.197749
H 2.743810 -0.594735 -1.949436
H 4.310190 -0.933302 -1.195334
H 5.657958 1.037268 2.100796
H 3.915318 1.369994 2.195707
H 1.451918 -1.034860 0.003213
H 2.666832 -2.354257 -0.083910
H 5.010733 -1.270065 1.028261
H 4.602898 -1.024254 2.772353
H 0.658405 -0.885588 2.049826
H -1.536343 1.741831 -1.270699
H -3.231074 -0.353476 2.123446
H -3.725835 1.458514 -2.532800
H -5.398713 -0.632760 0.888330
H -6.448107 -0.774519 -1.526257
H -6.802079 0.947572 -1.251829
H -5.928622 0.446800 -2.722817


