%chk=000224665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224665

0 1
S 3.229078 0.791332 -0.616682
O 0.568978 2.988514 0.556133
O -1.648097 -2.887971 -0.824248
O 0.322334 -1.943971 -0.393441
O 3.227526 -1.093532 1.247660
N 0.286603 0.697288 0.399210
N 3.750721 -1.812993 -0.881501
C -1.104234 0.643216 0.132343
C -1.690279 -0.591958 -0.262578
C -1.929081 1.784004 0.271097
C -3.086693 -0.652810 -0.477308
C -3.293668 1.693456 0.044434
C 1.052918 1.876404 0.572346
C -3.883219 0.470514 -0.326049
C 2.523634 1.635225 0.809829
C -0.887422 -1.794719 -0.474942
C 3.384385 -0.889080 0.068217
H 0.788357 -0.218049 0.398272
H -1.483493 2.746333 0.555356
H -3.529201 -1.611175 -0.770777
H -3.920574 2.581192 0.156250
H -4.956667 0.413982 -0.493651
H 3.047874 2.608514 0.952240
H 2.703950 1.058837 1.753466
H -1.088275 -3.701218 -0.960347
H 3.703350 -1.618782 -1.870894
H 3.751893 -2.795855 -0.631738


%chk=000224665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224665

0 1
S 3.257062 0.426732 -0.853269
O 0.620554 2.928647 1.014998
O -1.548963 -2.680690 -1.643015
O 0.459301 -1.630151 -1.210776
O 3.925169 -0.578411 1.661417
N 0.345855 0.839169 -0.054124
N 3.168889 -2.124004 0.064789
C -1.052047 0.657907 0.001618
C -1.637547 -0.543613 -0.546516
C -1.912038 1.635435 0.579632
C -3.051318 -0.714576 -0.506124
C -3.303141 1.431564 0.607490
C 1.094926 1.909366 0.431039
C -3.884815 0.258976 0.063893
C 2.619243 1.810755 0.254241
C -0.809701 -1.609407 -1.136254
C 3.495911 -0.873464 0.523494
H 0.872796 0.081663 -0.529136
H -1.465360 2.539351 0.996435
H -3.471500 -1.630231 -0.929533
H -3.941389 2.199575 1.058400
H -4.968794 0.111960 0.088673
H 2.983495 2.763386 -0.159925
H 3.088722 1.664304 1.244954
H -0.923284 -3.348936 -2.030738
H 2.541958 -2.225991 -0.737173
H 3.336712 -2.922618 0.678208