%chk=000229271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229271

0 1
S -3.183270 -1.527742 -0.391814
O 4.118234 -0.431809 0.415737
O -0.344829 2.586252 -0.524392
N 1.969178 -1.396644 0.255591
N 2.175077 0.864198 0.008726
N -0.544945 -1.512744 -0.053976
N -1.587663 0.636140 -0.448335
C 0.690924 -0.861533 0.026175
C 0.805261 0.525157 -0.126885
C 2.929683 -0.301580 0.246837
C -0.355884 1.389750 -0.380990
C -1.649931 -0.654893 -0.300141
C -4.383160 -0.227135 -0.703875
H 2.206517 -2.364563 0.403414
H 2.530907 1.806575 -0.060141
H -0.628034 -2.519423 0.056357
H -4.168636 0.315506 -1.638658
H -4.392786 0.525965 0.100511
H -5.378042 -0.686175 -0.776541


%chk=000229271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229271

0 1
S -3.231235 -1.619820 -0.383897
O 4.162990 -0.411338 0.415966
O -0.330257 2.620818 -0.525500
N 1.957292 -1.371477 0.250607
N 2.143873 0.845318 0.005579
N -0.537140 -1.507379 -0.051551
N -1.607839 0.615290 -0.445919
C 0.685171 -0.862248 0.026276
C 0.781216 0.519096 -0.128947
C 2.925283 -0.297741 0.244131
C -0.373662 1.365001 -0.378908
C -1.657209 -0.684189 -0.294974
C -4.395727 -0.185749 -0.711588
H 2.243977 -2.336350 0.404319
H 2.522950 1.788327 -0.060602
H -0.641241 -2.518088 0.056381
H -4.101865 0.313640 -1.644420
H -4.339411 0.525192 0.123452
H -5.398564 -0.633002 -0.792804


