%chk=000271390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271390

0 1
S -1.043964 1.087428 -1.133594
O -0.370829 0.502970 -2.270958
O -1.329016 2.507912 -1.080551
O 2.120060 1.337526 2.474763
O 2.241779 3.012825 0.999975
N -0.061442 0.793644 0.263212
C 0.079415 1.851555 1.283046
C 0.326820 -0.560242 0.583554
C 1.608045 -1.059474 0.264126
C -2.499746 0.212774 -0.843482
C -0.603188 1.532345 2.611132
C -0.621858 -1.400899 1.201210
C 1.571123 2.150962 1.509795
C 2.695038 -0.244126 -0.324920
C 1.891234 -2.410819 0.540042
C -3.559002 0.825075 -0.162509
C -2.642174 -1.096707 -1.316815
C -0.315491 -2.733051 1.471105
C 0.942672 -3.242662 1.132332
C -4.885538 -1.193109 -0.397452
C -4.743847 0.128257 0.066062
C -3.825731 -1.800227 -1.092789
C 2.587229 0.299333 -1.611152
C 3.876356 -0.056901 0.415863
C -6.159821 -1.932241 -0.166880
C 3.645088 1.042613 -2.143922
C 4.928360 0.685641 -0.122503
C 4.813591 1.239293 -1.402890
H -0.358689 2.810718 0.851901
H -0.509880 2.367390 3.316888
H -1.669945 1.325539 2.478485
H -0.148009 0.654149 3.096662
H -1.601296 -1.007126 1.471588
H 2.874792 -2.807299 0.281187
H -3.462654 1.861046 0.182742
H -1.823222 -1.572171 -1.870657
H -1.054479 -3.375408 1.946956
H 1.182470 -4.285033 1.335203
H -5.564711 0.610279 0.593998
H -3.928351 -2.818401 -1.464435
H 1.673882 0.149501 -2.200804
H 3.964277 -0.491943 1.409251
H -6.037059 -3.022825 -0.222593
H -6.601821 -1.709233 0.814721
H -6.911032 -1.656791 -0.925119
H 3.550234 1.474101 -3.139701
H 5.838918 0.836311 0.453413
H 3.095878 1.500045 2.588306
H 5.630734 1.825557 -1.817792


%chk=000271390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271390

0 1
S -1.104764 1.084485 -1.138872
O -0.416223 0.411200 -2.448005
O -1.490573 2.667492 -1.069683
O 2.204414 1.487255 2.410515
O 2.096690 3.343128 1.017893
N 0.121110 0.817508 0.300757
C 0.082962 1.913423 1.305021
C 0.444464 -0.548350 0.606179
C 1.748774 -1.066595 0.305349
C -2.708473 0.121928 -0.840469
C -0.653477 1.597785 2.624001
C -0.518956 -1.381429 1.242498
C 1.539631 2.354367 1.532903
C 2.854682 -0.264313 -0.301027
C 2.019618 -2.416343 0.665426
C -3.735059 0.758733 -0.123679
C -2.824705 -1.168423 -1.379814
C -0.227857 -2.718498 1.574387
C 1.053511 -3.237630 1.280987
C -5.106532 -1.268269 -0.441526
C -4.937682 0.046266 0.072860
C -4.038594 -1.859467 -1.167529
C 2.684300 0.509105 -1.479952
C 4.143450 -0.312008 0.303954
C -6.418025 -2.007164 -0.250026
C 3.773525 1.223361 -2.026151
C 5.229291 0.404203 -0.244191
C 5.046508 1.178963 -1.413618
H -0.399042 2.767476 0.789940
H -0.610125 2.475304 3.294522
H -1.717346 1.374804 2.425137
H -0.194385 0.743935 3.147125
H -1.502846 -0.962768 1.477312
H 3.005419 -2.829212 0.425221
H -3.608085 1.784971 0.236844
H -2.001876 -1.606858 -1.952601
H -0.986574 -3.343085 2.057987
H 1.298430 -4.277094 1.525821
H -5.758485 0.521014 0.622798
H -4.156685 -2.869796 -1.575286
H 1.709523 0.536366 -1.976375
H 4.285170 -0.899806 1.219169
H -6.288286 -3.098815 -0.343795
H -6.862143 -1.796832 0.738742
H -7.157427 -1.695936 -1.013017
H 3.622624 1.816557 -2.934726
H 6.212128 0.360365 0.239261
H 3.167933 1.736533 2.444292
H 5.885269 1.740263 -1.840562


