%chk=000190720.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190720

0 1
S 2.284391 -1.839914 -1.499779
O -1.800157 -1.162798 0.621648
N -2.721612 0.833872 -0.126677
N -0.371847 0.572812 -0.008866
N 0.687802 -1.252119 -1.153798
C -4.166297 0.403122 -0.002622
C -5.022975 1.610232 -0.423595
C -4.423658 -0.791583 -0.930611
C -4.441031 0.028470 1.459173
C -1.673922 -0.044717 0.175583
C 2.129166 0.330822 -0.102333
C 0.761919 -0.152583 -0.421208
C 3.096249 -0.534875 -0.662520
C 2.541408 1.442925 0.640857
C 4.462528 -0.309368 -0.508490
C 3.907252 1.673996 0.798950
C 4.858753 0.807138 0.227906
H -4.861351 1.893318 -1.468986
H -6.089519 1.373448 -0.322118
H -4.832110 2.489204 0.202036
H -3.787369 -1.649554 -0.654362
H -4.206596 -0.560392 -1.977908
H -5.461989 -1.130404 -0.871188
H -4.220759 0.853308 2.143959
H -5.485200 -0.262475 1.606935
H -3.818422 -0.826481 1.771604
H -2.542031 1.662698 -0.687523
H -0.232376 1.550297 0.235306
H 1.812496 2.110976 1.094162
H 5.197057 -0.982630 -0.946057
H 4.248107 2.533647 1.374319
H 5.920093 1.013707 0.368304


%chk=000190720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190720

0 1
S 2.508038 -1.995788 -1.495430
O -1.772280 -1.364728 0.333507
N -2.695139 0.712251 -0.279320
N -0.378869 0.435317 -0.335599
N 0.794783 -1.395151 -1.316826
C -4.130129 0.406904 0.024673
C -4.922398 1.697064 -0.298094
C -4.626231 -0.765425 -0.863642
C -4.282799 0.053000 1.525921
C -1.648879 -0.180982 -0.075276
C 2.115261 0.277837 -0.183937
C 0.815242 -0.251133 -0.611420
C 3.182706 -0.564470 -0.614621
C 2.405941 1.443082 0.571578
C 4.528691 -0.258827 -0.320627
C 3.746035 1.757885 0.863516
C 4.800463 0.913538 0.415516
H -4.817127 1.976794 -1.364527
H -5.995872 1.536627 -0.100054
H -4.581315 2.542542 0.328094
H -4.021920 -1.667202 -0.672720
H -4.544536 -0.507015 -1.935478
H -5.684791 -0.991033 -0.638889
H -3.936934 0.888987 2.160600
H -5.345355 -0.145340 1.755699
H -3.696307 -0.846769 1.772719
H -2.519376 1.529886 -0.867656
H -0.309922 1.447826 -0.219961
H 1.597559 2.083366 0.944852
H 5.343679 -0.910523 -0.650659
H 3.981572 2.653487 1.447755
H 5.838208 1.172093 0.652406


