%chk=000267926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267926

0 1
S -0.523424 -0.474008 0.107183
S 1.780679 -2.622173 -0.441762
O 4.958737 0.920620 1.083399
N 1.439181 1.152390 0.852127
N 2.731034 1.454966 1.073040
N 3.471272 -0.749263 0.365440
C -2.869518 0.663572 0.298025
C -1.446544 1.034143 0.554505
C -3.644310 0.089507 1.319069
C -3.440495 0.888012 -0.965309
C 1.149698 -0.059383 0.401279
C -4.977474 -0.251118 1.077011
C -4.774289 0.544873 -1.200212
C 2.201796 -1.038914 0.151084
C -5.544881 -0.023771 -0.180939
C 3.843295 0.530763 0.847563
C 3.351913 -3.478663 -0.602734
H -1.107473 1.895963 -0.054411
H -1.255291 1.311662 1.610381
H -3.207057 -0.094806 2.299400
H -2.844439 1.325872 -1.764818
H -5.575362 -0.696246 1.871122
H -5.213798 0.720206 -2.181187
H -6.583796 -0.289908 -0.366664
H 2.906432 2.407468 1.422790
H 3.884136 -3.551097 0.358007
H 4.031688 -2.968431 -1.302096
H 3.152189 -4.491534 -0.975996


%chk=000267926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267926

0 1
S -0.523299 -0.740071 -0.010159
S 1.944908 -2.774042 -0.482809
O 5.001711 0.979158 1.129230
N 1.392203 1.039986 0.798460
N 2.705909 1.374744 1.044634
N 3.560650 -0.753647 0.383842
C -2.955343 0.627110 0.265067
C -1.480957 0.864079 0.467003
C -3.750900 0.099239 1.315310
C -3.571746 0.930402 -0.976882
C 1.173743 -0.197527 0.344906
C -5.134087 -0.116491 1.130160
C -4.955014 0.715728 -1.163801
C 2.305832 -1.108821 0.136176
C -5.740011 0.191572 -0.110381
C 3.853743 0.543574 0.868720
C 3.695912 -3.461879 -0.554167
H -1.075844 1.660924 -0.175181
H -1.213035 1.074719 1.513634
H -3.283276 -0.142617 2.277318
H -2.965294 1.334847 -1.796216
H -5.737679 -0.521849 1.949623
H -5.419428 0.956969 -2.126245
H -6.813353 0.025571 -0.254457
H 2.851086 2.326234 1.390140
H 4.137072 -3.436615 0.451574
H 4.299724 -2.847695 -1.236070
H 3.590673 -4.492897 -0.924133


