%chk=000217756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217756

0 1
S -1.610681 2.041989 0.281673
O 0.319597 -2.459356 0.300149
N -0.450845 -0.305401 0.264475
N 1.055722 1.598269 0.188212
C -1.894484 -0.658777 0.064748
C -2.710216 0.592568 0.427924
C 2.227470 0.695495 0.083057
C 1.952692 -0.714771 0.667783
C -0.120813 1.087344 0.232647
C 0.578495 -1.276882 0.378613
C -2.137891 -1.121336 -1.370667
C 2.665170 0.611389 -1.382497
H -2.131595 -1.500456 0.772320
H -3.577196 0.734605 -0.242839
H -3.102218 0.536610 1.460264
H 3.040149 1.180127 0.690291
H 2.083614 -0.694725 1.772293
H 2.715918 -1.435518 0.303785
H -1.896244 -0.345632 -2.107622
H -1.513807 -1.997898 -1.606180
H -3.180836 -1.417441 -1.526553
H 2.782267 1.617212 -1.811983
H 3.624948 0.095001 -1.486198
H 1.931084 0.084485 -2.003196


%chk=000217756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217756

0 1
S -1.684609 2.063051 0.198796
O 0.350655 -2.497503 0.433458
N -0.421205 -0.306941 0.240886
N 1.050999 1.635911 0.171772
C -1.835136 -0.693197 -0.017607
C -2.682326 0.479821 0.534026
C 2.213159 0.694499 0.064741
C 1.943319 -0.640136 0.815088
C -0.121380 1.093525 0.211972
C 0.588859 -1.257744 0.468552
C -2.070625 -0.969663 -1.516770
C 2.557536 0.479415 -1.427870
H -2.033930 -1.614117 0.559099
H -3.645904 0.568989 0.011383
H -2.839653 0.401010 1.620587
H 3.067557 1.201445 0.547450
H 1.948474 -0.454450 1.908561
H 2.723172 -1.389849 0.602116
H -1.910903 -0.056040 -2.116864
H -1.382059 -1.756303 -1.868347
H -3.104612 -1.322568 -1.682320
H 2.698263 1.453902 -1.925520
H 3.490538 -0.104271 -1.528225
H 1.750109 -0.061883 -1.954467


