%chk=000232978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232978

0 1
S 3.020740 -0.506455 1.080829
O -2.287548 1.511328 -0.439951
N 4.360590 -1.115771 -1.360900
C -2.093055 -1.270920 -0.007261
C -0.890999 -0.328315 0.116247
C -1.712672 -2.736241 0.281825
C -2.641698 -1.183000 -1.444006
C -3.167000 -0.835754 1.008057
C -1.029852 1.063882 -0.111426
C 0.385889 -0.785875 0.450543
C 0.050844 1.971484 -0.013489
C 1.460837 0.104236 0.556153
C 1.311888 1.470888 0.324745
C -0.139258 3.430659 -0.267036
C 3.788366 -0.858400 -0.391860
H -1.328999 -2.867439 1.298687
H -2.588522 -3.388761 0.186537
H -0.961794 -3.110745 -0.421858
H -1.877238 -1.445095 -2.182007
H -3.490380 -1.858073 -1.588565
H -2.990827 -0.167847 -1.676547
H -4.039605 -1.494716 0.971202
H -2.780752 -0.849549 2.031544
H -3.521255 0.183307 0.801584
H 0.557886 -1.850605 0.633467
H 2.163549 2.149593 0.403793
H 0.132463 4.028515 0.616309
H 0.491766 3.775576 -1.100834
H -1.180174 3.687252 -0.523006
H -2.292490 2.502840 -0.590179


%chk=000232978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232978

0 1
S 3.117004 -0.535574 1.186659
O -2.300634 1.598491 -0.484071
N 4.404605 -1.197257 -1.386794
C -2.101812 -1.275437 -0.037401
C -0.909327 -0.300105 0.118173
C -1.692378 -2.741262 0.266167
C -2.633267 -1.224164 -1.502887
C -3.238075 -0.882442 0.956162
C -1.035136 1.104968 -0.109516
C 0.377151 -0.761477 0.492244
C 0.054854 2.013521 0.024762
C 1.464133 0.125027 0.623733
C 1.318000 1.505418 0.398870
C -0.145200 3.496866 -0.235398
C 3.852459 -0.917797 -0.359333
H -1.335534 -2.867701 1.305431
H -2.575710 -3.392564 0.138229
H -0.909478 -3.106105 -0.424433
H -1.845510 -1.529978 -2.216031
H -3.484853 -1.921648 -1.612755
H -2.975859 -0.212272 -1.769776
H -4.084893 -1.585732 0.847102
H -2.880655 -0.935936 2.001356
H -3.605350 0.137526 0.762206
H 0.537291 -1.824881 0.680345
H 2.171747 2.181709 0.505872
H 0.797598 4.047411 -0.087565
H -0.471842 3.699889 -1.275859
H -0.888827 3.948626 0.452826
H -2.269803 2.578877 -0.615718


