%chk=000216891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216891

0 1
S -6.588854 -0.008226 -2.267749
O 5.677782 -1.351946 -0.783647
O 6.538500 0.663260 -0.126159
O -0.984075 -0.460621 2.039671
O -2.368294 1.243313 -1.547453
N 1.975399 0.807458 0.528975
N 4.393010 0.528286 -1.054566
N -0.802718 0.865295 0.169895
N -3.677146 0.921006 -1.882652
C 3.156163 1.693905 0.798660
C 2.418270 -0.547976 0.057540
C 3.983146 1.847238 -0.494572
C 3.237507 -0.391037 -1.239263
C 1.115622 0.686329 1.744002
C 5.615262 0.011235 -0.570163
C -0.304871 0.276337 1.358604
C -2.089335 0.619817 -0.307473
C 6.972330 -1.996850 -0.541114
C -3.192963 -0.076788 0.122627
C -4.189426 0.139114 -0.910164
C 7.199395 -2.164300 0.945673
C -5.529681 -0.381459 -0.933997
C -6.172838 -1.180107 -0.025415
C -7.525504 -1.490264 -0.410240
C -7.894502 -0.928898 -1.597891
H 3.803627 1.318904 1.621209
H 2.779997 2.693164 1.110140
H 1.512279 -1.159249 -0.150878
H 3.011308 -1.102144 0.817567
H 4.889056 2.468925 -0.300854
H 3.386713 2.364969 -1.281068
H 3.598296 -1.385226 -1.591324
H 2.603607 0.036339 -2.051042
H 1.054726 1.668031 2.272328
H 1.489450 -0.043291 2.501411
H -0.176034 1.428262 -0.425233
H 7.760540 -1.395185 -1.027947
H 6.817933 -2.953635 -1.073492
H -3.303055 -0.655722 1.021231
H 8.096455 -2.761510 1.149066
H 7.338036 -1.187253 1.435708
H 6.350709 -2.657539 1.434671
H -5.733928 -1.551744 0.891189
H -8.162305 -2.111559 0.205409
H -8.842689 -1.005958 -2.102718


%chk=000216891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216891

0 1
S -6.182338 -0.516961 -2.879333
O 5.702084 -1.404814 -0.972844
O 6.423745 0.826736 -0.751946
O -1.503294 0.251095 2.608720
O -1.882304 0.421509 -1.670587
N 1.788478 0.751806 1.036328
N 4.171231 0.236503 -0.461800
N -0.771043 0.575365 0.394808
N -3.222874 0.133861 -2.215014
C 2.926196 1.716147 1.075593
C 2.278234 -0.647307 0.850862
C 3.739754 1.626302 -0.228829
C 3.090231 -0.765690 -0.453506
C 0.852209 0.872530 2.178922
C 5.500753 -0.033413 -0.727056
C -0.594526 0.519088 1.775432
C -1.958680 0.335403 -0.273803
C 7.116193 -1.803046 -1.231559
C -3.244824 0.014728 0.123760
C -3.990158 -0.100336 -1.108227
C 7.858283 -2.079032 0.078811
C -5.399756 -0.426216 -1.248212
C -6.319958 -0.706328 -0.239843
C -7.643476 -0.994067 -0.724769
C -7.743470 -0.935254 -2.106966
H 3.598204 1.511854 1.941942
H 2.520141 2.738216 1.183692
H 1.406742 -1.325776 0.803301
H 2.912306 -0.959325 1.714113
H 4.637866 2.262245 -0.177387
H 3.110777 1.965150 -1.077176
H 3.528018 -1.769292 -0.547732
H 2.417661 -0.591199 -1.318765
H 0.842657 1.920274 2.535158
H 1.121519 0.237221 3.049802
H 0.107991 0.795407 -0.114145
H 7.607143 -0.998713 -1.806424
H 7.018698 -2.709187 -1.851331
H -3.588523 -0.115797 1.143863
H 8.875785 -2.453449 -0.140287
H 7.952805 -1.154950 0.673602
H 7.332307 -2.842394 0.678319
H -6.055057 -0.706704 0.820401
H -8.486663 -1.234441 -0.073328
H -8.614167 -1.105049 -2.738057


