%chk=000258576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258576

0 1
S 3.261786 -0.638016 0.233897
O -3.002320 1.303544 -0.056617
O -3.263124 -0.845115 -0.154846
N 1.073051 0.936862 0.166476
N 0.779701 -1.484910 0.056723
N -2.579447 0.160396 -0.076112
C -1.129533 -0.018059 0.001389
C -0.266206 1.099444 0.094505
C -0.556003 -1.314814 -0.014887
C 1.551364 -0.350438 0.145083
C 3.982391 1.002521 0.338518
H -0.664283 2.128787 0.110531
H -1.188762 -2.217046 -0.086360
H 3.638946 1.556202 1.224908
H 3.742821 1.623056 -0.537697
H 5.074019 0.889586 0.398589


%chk=000258576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258576

0 1
S 3.317081 -0.695781 0.238104
O -3.017591 1.389393 -0.053673
O -3.317200 -0.878041 -0.161141
N 1.099190 0.916815 0.167135
N 0.778350 -1.513324 0.056370
N -2.573134 0.175368 -0.075839
C -1.120758 -0.020831 0.001397
C -0.246941 1.087201 0.094465
C -0.561559 -1.324762 -0.015591
C 1.551376 -0.378861 0.145148
C 3.992906 1.057825 0.341642
H -0.635938 2.109648 0.110473
H -1.199725 -2.210405 -0.087226
H 3.603662 1.553028 1.241251
H 3.698507 1.621590 -0.553611
H 5.086173 0.943138 0.395197


