%chk=000270385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270385

0 1
S -0.027087 -1.023791 -0.728656
S 2.949191 -0.747151 0.831486
O 0.731880 -1.258211 0.507554
O -0.178514 -2.084527 -1.701306
N 0.817107 0.224491 -1.571403
N 4.009107 1.308691 -0.342434
N -5.217007 1.382877 0.687223
C -1.531561 -0.335390 -0.321962
C 1.561693 1.208889 -0.757998
C -2.521151 -0.158647 -1.302654
C -1.795185 0.045483 1.004664
C 2.847827 0.705007 -0.184003
C -3.751696 0.394160 -0.981122
C -3.015029 0.600787 1.357312
C -4.009101 0.785797 0.359337
C 4.653465 -0.475802 1.031106
C 5.040711 0.641699 0.347951
H 1.336271 -0.048133 -2.418292
H 0.908331 1.588909 0.065879
H 1.772774 2.102170 -1.406957
H -2.323845 -0.467358 -2.336187
H -1.025125 -0.106482 1.773871
H -4.508362 0.528916 -1.748382
H -3.206889 0.893325 2.385460
H 5.262234 -1.138793 1.618024
H 6.038440 1.060422 0.281279
H -5.972965 1.408618 0.025759
H -5.462615 1.550942 1.646950


%chk=000270385-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270385

0 1
S -0.032287 -0.663262 0.212598
S 4.751123 -0.266124 1.200022
O 0.236131 -1.121958 1.758579
O 0.283510 -1.660646 -1.040649
N 0.926702 0.992444 0.056262
N 3.605088 0.629966 -1.027756
N -5.790433 1.121375 -0.333061
C -1.796038 -0.093399 0.047769
C 2.114507 1.004580 0.946903
C -2.451503 -0.309005 -1.177582
C -2.426997 0.505722 1.153178
C 3.374164 0.513397 0.270186
C -3.790978 0.097697 -1.303054
C -3.766004 0.909558 1.023582
C -4.466835 0.717524 -0.207799
C 5.624825 -0.390410 -0.362195
C 4.858518 0.122346 -1.394421
H 1.222637 1.028813 -0.943762
H 1.875951 0.399921 1.844518
H 2.250176 2.052507 1.280886
H -1.925612 -0.804027 -2.000490
H -1.887528 0.634604 2.096617
H -4.321633 -0.064715 -2.248135
H -4.278015 1.374362 1.873913
H 6.616243 -0.835432 -0.403626
H 5.156451 0.152655 -2.442542
H -6.299180 0.982847 -1.201545
H -6.280085 1.555559 0.444104


