%chk=000223609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223609

0 1
S 1.815446 0.616913 0.439403
O 1.519716 1.821476 -0.275738
O 2.740829 0.607757 1.545522
N 2.287170 -0.599338 -0.651741
N 0.373475 0.064729 1.289958
N -1.964771 -0.259658 1.588264
N -0.980174 -0.078255 -0.653753
C 2.361799 -1.970940 -0.095127
C 1.731890 -0.532159 -2.025081
C -0.887309 -0.084618 0.728253
C -3.181560 -0.401564 1.014912
C -2.224256 -0.213594 -1.179852
C -3.362884 -0.376510 -0.379487
H 0.403120 0.010944 2.326654
H 2.929939 -1.958099 0.854928
H 2.927727 -2.616908 -0.791326
H 1.379433 -2.440473 0.077912
H 1.548603 0.520100 -2.319857
H 0.783986 -1.082189 -2.151476
H 2.476658 -0.948732 -2.726173
H -4.027244 -0.535735 1.703235
H -2.286250 -0.191180 -2.275850
H -4.349744 -0.477166 -0.817678


%chk=000223609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223609

0 1
S 1.799669 0.579305 0.484635
O 1.441094 1.939706 -0.306569
O 2.806412 0.565072 1.746219
N 2.445860 -0.630051 -0.743939
N 0.261019 -0.159275 1.336615
N -2.061681 -0.092931 1.624578
N -1.071075 -0.348130 -0.607126
C 2.499479 -2.000530 -0.187664
C 1.867450 -0.480436 -2.098956
C -0.997779 -0.186278 0.755783
C -3.298543 -0.191814 1.063368
C -2.328289 -0.404382 -1.129759
C -3.492344 -0.337464 -0.330672
H 0.303777 0.014221 2.350598
H 2.921408 -1.967650 0.829913
H 3.189426 -2.577926 -0.828769
H 1.509306 -2.500429 -0.171286
H 1.774930 0.591530 -2.335030
H 0.876507 -0.961914 -2.200689
H 2.595387 -0.935273 -2.795742
H -4.144165 -0.136195 1.757605
H -2.391216 -0.512764 -2.218169
H -4.491034 -0.391592 -0.769043


