%chk=000229973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229973

0 1
S 0.000484 -0.005817 0.171383
O 3.518344 1.036123 0.012349
O -3.517011 -1.039187 -0.022322
N 2.795540 -1.075741 0.423864
N -2.794898 1.060427 0.449399
N 3.905446 -1.392901 1.250984
N -3.905086 1.353279 1.285139
C 1.374752 0.415856 -0.952170
C -1.372455 -0.391546 -0.966621
C 1.255979 1.847765 -1.424787
C -1.254435 -1.808555 -1.482355
C 2.636421 0.205033 -0.122937
C -2.635008 -0.204601 -0.133034
H 1.386305 -0.285183 -1.824329
H -1.381913 0.335666 -1.817095
H 1.172202 2.557774 -0.586906
H 2.160724 2.154628 -1.977708
H 0.395992 2.002909 -2.085045
H -0.393135 -1.944635 -2.145117
H -1.173349 -2.543835 -0.666273
H -2.158297 -2.097295 -2.046319
H 2.037880 -1.760202 0.518918
H -2.036313 1.740445 0.566843
H 4.051827 -0.652914 1.954604
H 4.759647 -1.394070 0.674083
H -4.053669 0.591711 1.964873
H -4.758574 1.374267 0.707577


%chk=000229973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229973

0 1
S -0.001401 0.005159 0.399799
O 3.814143 0.771422 -0.734323
O -3.808407 -0.770449 -0.751997
N 2.860324 -0.895838 0.571936
N -2.871169 0.873946 0.594559
N 4.099159 -1.386201 1.067858
N -4.114588 1.338118 1.104001
C 1.374853 0.522749 -0.842616
C -1.372034 -0.492400 -0.856435
C 1.271531 2.009742 -1.213023
C -1.253737 -1.967728 -1.266765
C 2.783328 0.161510 -0.317279
C -2.783768 -0.159893 -0.321024
H 1.195650 -0.109696 -1.734091
H -1.199298 0.165710 -1.730391
H 1.367775 2.645410 -0.316822
H 2.086864 2.274825 -1.908263
H 0.302261 2.228311 -1.695403
H -0.280406 -2.164172 -1.750575
H -1.347844 -2.628367 -0.388599
H -2.063578 -2.221381 -1.972584
H 2.013357 -1.367605 0.901908
H -2.029063 1.346830 0.935151
H 4.553896 -0.677517 1.662144
H 4.717954 -1.640354 0.284213
H -4.562392 0.608305 1.677577
H -4.736009 1.608967 0.328043