%chk=000237044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237044

0 1
S -0.595249 1.257275 0.000143
O -0.436790 2.011989 -1.234110
O -0.436841 2.011831 1.234500
N -1.305441 -1.747866 0.000069
C 0.497296 -0.081608 0.000082
C 0.061964 -1.392896 0.000078
C -2.173584 0.544398 0.000055
C 1.905796 0.193495 0.000078
C -2.387763 -0.835915 0.000066
C 2.825702 -0.892279 0.000128
C 0.988911 -2.493303 0.000101
C 2.332053 -2.235349 0.000135
C -3.283536 1.404212 0.000010
C 2.435873 1.523763 0.000020
C -3.700437 -1.369340 0.000101
C 4.231812 -0.638034 0.000168
C -4.579212 0.894569 0.000026
C -4.781106 -0.495245 0.000081
C 3.792735 1.739703 0.000057
C 4.707526 0.649301 0.000145
H -1.533592 -2.744577 -0.000038
H 0.617372 -3.515020 0.000104
H 3.053001 -3.056922 0.000176
H -3.128587 2.489686 -0.000026
H 1.761778 2.387764 -0.000064
H -3.865650 -2.442742 0.000158
H 4.916601 -1.485503 0.000224
H -5.433483 1.568326 -0.000003
H -5.798245 -0.892477 0.000127
H 4.188086 2.756949 0.000025
H 5.775909 0.855614 0.000184


%chk=000237044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237044

0 1
S -0.608862 1.402749 0.000204
O -0.445774 2.250839 -1.386629
O -0.445829 2.250613 1.387179
N -1.313458 -1.725679 0.000168
C 0.559766 -0.083479 0.000130
C 0.047956 -1.391055 0.000153
C -2.289203 0.548440 0.000093
C 1.968490 0.199513 0.000102
C -2.413670 -0.860151 0.000117
C 2.885200 -0.923209 0.000109
C 0.985251 -2.486056 0.000152
C 2.350925 -2.254570 0.000137
C -3.404150 1.405984 0.000015
C 2.512395 1.526239 0.000069
C -3.731989 -1.402474 0.000065
C 4.295717 -0.685418 0.000089
C -4.699996 0.853651 -0.000042
C -4.852386 -0.555816 -0.000011
C 3.895343 1.723559 0.000049
C 4.798177 0.616925 0.000060
H -1.526213 -2.724193 0.000179
H 0.596235 -3.511369 0.000168
H 3.045657 -3.101816 0.000142
H -3.253234 2.490393 -0.000013
H 1.845678 2.392829 0.000040
H -3.863805 -2.491214 0.000079
H 4.975752 -1.545059 0.000095
H -5.576904 1.506894 -0.000110
H -5.854974 -0.995777 -0.000050
H 4.292447 2.743987 0.000019
H 5.878358 0.794519 0.000043


