%chk=000238950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238950

0 1
S 1.532774 -1.201876 -0.249153
O -1.889367 -3.534973 -0.934319
O 0.333748 -3.210261 -0.825262
O -4.229701 2.049859 0.625621
O -4.971908 0.095623 0.066444
N -4.071340 0.885151 0.297094
C -0.056838 -0.494666 -0.061754
C -1.130293 -1.375889 -0.318799
C -2.452450 -0.932210 -0.203717
C -2.686635 0.397141 0.169873
C -0.306291 0.833819 0.311428
C -1.616029 1.281472 0.427788
C 2.631918 0.126997 0.134699
C 3.084992 0.278151 1.446606
C 3.102323 0.941207 -0.897267
C -0.785633 -2.752859 -0.704854
C 4.030324 1.270077 1.729702
C 4.047584 1.930787 -0.605849
C 4.509373 2.094124 0.705063
H -3.290772 -1.616899 -0.403555
H 0.521899 1.519267 0.511335
H -1.835794 2.316991 0.718530
H 2.714932 -0.367897 2.244221
H 2.745730 0.810081 -1.920097
H 4.395108 1.398295 2.748050
H 4.425753 2.572048 -1.401029
H 5.246963 2.864999 0.928583
H -1.644472 -4.466659 -1.195482


%chk=000238950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238950

0 1
S 1.697774 -1.353195 -0.236667
O -2.215679 -3.553215 -0.982511
O 0.101898 -3.533063 -0.880342
O -4.095255 2.170556 0.634379
O -4.975030 0.153774 0.022705
N -3.976179 0.932707 0.277851
C 0.003392 -0.673640 -0.079647
C -1.141635 -1.500833 -0.346892
C -2.444036 -0.959359 -0.226763
C -2.612214 0.380322 0.155822
C -0.209131 0.678107 0.307089
C -1.499665 1.210066 0.427240
C 2.726023 0.140799 0.165370
C 3.184888 0.334386 1.488473
C 3.136058 1.004952 -0.875926
C -0.987696 -2.921284 -0.749722
C 4.052804 1.414849 1.773188
C 4.002910 2.083981 -0.584336
C 4.460193 2.289716 0.738775
H -3.314193 -1.586428 -0.432510
H 0.651343 1.318300 0.515974
H -1.662818 2.248998 0.725775
H 2.869562 -0.351611 2.281421
H 2.783991 0.832939 -1.898293
H 4.410387 1.567758 2.797045
H 4.322146 2.755804 -1.388262
H 5.134873 3.123632 0.961257
H -2.048813 -4.497120 -1.246594


