%chk=000198410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198410

0 1
S -3.146982 0.913656 -0.000138
O 3.495478 0.609686 -0.000868
O 2.963375 -1.487807 -0.000344
N -3.397724 -0.805090 -0.000520
N 2.683463 -0.300154 0.000073
C -1.054912 -0.583954 -0.000222
C -1.409568 0.791262 -0.000089
C 0.291276 -0.957878 -0.000220
C 1.248612 0.061589 -0.000037
C -0.446698 1.802884 0.000130
C 0.892321 1.431532 0.000175
C -2.252333 -1.434888 -0.000106
H 0.595845 -2.010719 -0.000292
H -0.734097 2.854796 0.000314
H 1.688867 2.186248 0.000305
H -2.188123 -2.526264 -0.000363


%chk=000198410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198410

0 1
S -3.225292 0.955312 0.000191
O 3.560659 0.653645 0.000057
O 2.994882 -1.559240 -0.000341
N -3.447633 -0.861846 -0.000461
N 2.692443 -0.302935 -0.000457
C -1.065322 -0.589881 -0.000143
C -1.427722 0.798795 0.000061
C 0.298834 -0.961902 -0.000338
C 1.253607 0.066755 -0.000283
C -0.447569 1.817307 0.000121
C 0.907037 1.445472 -0.000006
C -2.242174 -1.440720 -0.000038
H 0.621052 -2.006846 -0.000490
H -0.727741 2.874291 0.000266
H 1.704877 2.192267 0.000036
H -2.221140 -2.535575 -0.000377


