%chk=000257211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257211

0 1
S 2.075725 3.194144 -0.000246
O 3.776871 -1.377257 -0.000336
O -0.799234 -0.500655 0.000444
O 5.498439 0.084857 0.001263
N -2.523048 1.067417 -0.000317
N -0.267534 1.775759 -0.000209
N 1.882479 0.580675 0.000164
C -3.649121 0.175616 -0.000225
C 1.119715 1.655199 -0.000041
C 3.250104 0.930900 0.000267
C -4.927341 0.773030 -0.000614
C -3.512214 -1.221470 0.000222
C -1.170942 0.644756 0.000044
C 3.542146 2.267612 0.000200
C -6.059018 -0.043146 -0.000554
C -4.660176 -2.016285 0.000273
C 4.301905 -0.125506 0.000490
C 4.745698 -2.492438 -0.000155
C -5.932418 -1.436108 -0.000113
C 3.855897 -3.714945 -0.001011
H -2.751196 2.061749 -0.000663
H -0.638995 2.728246 -0.000580
H -5.042687 1.853109 -0.000959
H -2.522490 -1.690741 0.000528
H 4.521789 2.726821 0.000234
H -7.049336 0.412358 -0.000857
H -4.557068 -3.102212 0.000615
H 5.370486 -2.394004 -0.904003
H 5.369518 -2.394571 0.904425
H -6.819660 -2.064944 -0.000072
H 4.444274 -4.639052 -0.000967
H 3.193438 -3.727818 0.877343
H 3.194396 -3.727293 -0.880091


%chk=000257211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257211

0 1
S 2.006136 3.241647 0.000388
O 3.859322 -1.396259 -0.000039
O -0.835208 -0.663197 0.000234
O 5.548355 0.216606 0.000782
N -2.540578 0.971155 -0.000803
N -0.308194 1.648752 -0.000520
N 1.867432 0.541842 -0.000040
C -3.717187 0.163823 -0.000441
C 1.081747 1.587102 -0.000118
C 3.225377 0.904277 0.000445
C -4.964263 0.846129 -0.000771
C -3.691554 -1.256131 0.000215
C -1.208324 0.531826 -0.000561
C 3.500028 2.265428 0.000717
C -6.172227 0.120931 -0.000452
C -4.911685 -1.965954 0.000530
C 4.327379 -0.093520 0.000653
C 4.909013 -2.462918 -0.000258
C -6.154446 -1.293131 0.000204
C 4.168555 -3.795449 -0.001012
H -2.721357 1.977550 -0.001280
H -0.703717 2.590438 -0.000697
H -4.989242 1.944217 -0.001276
H -2.734045 -1.779207 0.000459
H 4.481907 2.732152 0.001077
H -7.125302 0.660978 -0.000715
H -4.884471 -3.061260 0.001034
H 5.543128 -2.324904 -0.894978
H 5.542705 -2.325680 0.894880
H -7.092248 -1.858136 0.000454
H 4.896093 -4.627815 -0.001201
H 3.528422 -3.889132 0.892175
H 3.528846 -3.888356 -0.894584


