%chk=000289089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289089

0 1
I -5.310718 2.711182 -1.990902
S 2.507420 -2.365886 0.478691
O -0.506293 -2.309726 -0.491646
O -0.270657 1.016519 2.723781
N -0.673164 -0.457143 0.940750
N 1.601236 -0.826773 -1.997779
C 0.986708 -2.112780 1.437473
C 1.065973 -1.016499 2.491807
C -0.124435 -1.709366 0.479394
C 0.001038 0.004936 2.134423
C -1.727258 0.266970 0.271572
C 3.042617 -0.794802 -0.020748
C -2.486377 1.215671 0.982110
C -1.995448 0.020640 -1.088053
C 2.596885 -0.230978 -1.238870
C 4.016641 -0.137438 0.748526
C -3.506570 1.912469 0.331174
C -3.021764 0.718382 -1.727981
C -3.764939 1.656717 -1.014244
C 3.146603 1.016475 -1.660242
C 4.541868 1.076842 0.330701
C 4.095732 1.649756 -0.878507
H 0.759739 -3.113422 1.886333
H 2.059490 -0.517607 2.538120
H 0.899771 -1.402466 3.518802
H -2.279286 1.426621 2.035612
H -1.416821 -0.719897 -1.646808
H 4.368750 -0.592354 1.677709
H -4.091196 2.650637 0.885234
H -3.231102 0.520669 -2.781466
H 2.809667 1.467747 -2.589589
H 5.294555 1.588668 0.923788
H 4.512073 2.607107 -1.198747
H 1.416282 -0.487540 -2.926921
H 1.312582 -1.783630 -1.820899


%chk=000289089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289089

0 1
I -5.725202 2.597987 -1.877494
S 2.531659 -2.483368 0.571094
O -0.576283 -2.179034 -0.524721
O -0.497810 1.141926 2.815528
N -0.790031 -0.335781 0.967832
N 1.862140 -0.982889 -2.083598
C 0.919595 -1.939513 1.458376
C 1.055173 -0.764605 2.435202
C -0.202387 -1.546265 0.489405
C -0.141648 0.141896 2.157289
C -1.901653 0.325876 0.331390
C 3.221893 -0.885105 -0.030877
C -2.920428 0.916473 1.116556
C -1.964930 0.388605 -1.081462
C 2.830663 -0.362426 -1.308870
C 4.220831 -0.238278 0.735121
C -4.003935 1.567542 0.488928
C -3.051117 1.032627 -1.710199
C -4.064621 1.617768 -0.920293
C 3.470841 0.832851 -1.762730
C 4.842195 0.941491 0.272419
C 4.453288 1.469119 -0.983756
H 0.620341 -2.878268 1.958053
H 1.970196 -0.174252 2.238678
H 1.072400 -1.064212 3.495236
H -2.866749 0.886309 2.206707
H -1.178005 -0.066998 -1.686443
H 4.518509 -0.683993 1.690836
H -4.787378 2.024800 1.099007
H -3.098461 1.076410 -2.801682
H 3.185804 1.251607 -2.735523
H 5.613449 1.433203 0.872565
H 4.924776 2.383783 -1.360980
H 1.660662 -0.644015 -3.020258
H 1.425827 -1.851568 -1.768737


