%chk=000270254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270254

0 1
S 4.183934 -0.182405 0.625669
O 0.562678 -0.765994 0.624432
O 0.731293 0.595410 -2.599911
O 1.451500 2.446859 0.235366
O 3.507548 0.890085 1.356410
O 4.546986 0.070479 -0.749905
N -1.414719 0.469234 0.875377
N 3.117656 -1.533652 0.651039
N -3.509789 0.263428 1.822400
N -2.082573 0.120134 -1.530295
N -4.491165 -0.232649 -1.797131
N -5.998686 -0.255496 0.024734
C 1.292077 0.506148 -1.307357
C 1.082028 -0.919291 -0.732401
C 0.597988 1.471967 -0.304735
C 0.057820 0.559033 0.838214
C 2.351183 -1.781891 -0.594560
C -2.305325 0.223070 -0.178119
C -2.215693 0.461403 2.074762
C -3.607535 0.109194 0.428333
C -4.717746 -0.126542 -0.435410
C 5.550495 -0.724113 1.546478
C -3.212908 -0.104335 -2.259988
H 2.362350 0.779351 -1.484194
H 0.294441 -1.457103 -1.308736
H -0.196379 2.076191 -0.806798
H 0.436246 0.856604 1.848204
H 3.003406 -1.640775 -1.492562
H 2.061299 -2.860863 -0.589836
H -0.259254 0.468421 -2.574049
H 2.272423 2.045683 0.671995
H 2.468103 -1.580765 1.461015
H -1.769328 0.619765 3.047551
H 5.623063 -0.248633 2.538869
H 5.563615 -1.811062 1.733462
H 6.512775 -0.511754 1.048523
H -3.086368 -0.193894 -3.353872
H -6.196379 -0.172297 1.010815
H -6.763961 -0.411145 -0.613086


%chk=000270254-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270254

0 1
S 4.409173 -0.178379 0.354726
O 0.598748 -0.699945 0.968156
O 0.505888 0.474070 -2.415483
O 1.516063 2.401082 0.496290
O 3.930143 1.231325 1.054355
O 4.717947 -0.238840 -1.240422
N -1.553872 0.439854 0.921841
N 3.193135 -1.551296 0.748815
N -3.705784 0.226499 1.718793
N -2.046977 0.163361 -1.526124
N -4.434993 -0.177122 -1.962462
N -6.045078 -0.235057 -0.236259
C 1.164461 0.456828 -1.126272
C 1.021068 -0.948541 -0.445964
C 0.564145 1.482771 -0.092315
C -0.085905 0.599522 1.019512
C 2.270824 -1.855292 -0.380934
C -2.372122 0.235035 -0.199183
C -2.416654 0.416218 2.037298
C -3.691021 0.110808 0.317223
C -4.742710 -0.102164 -0.621592
C 5.927876 -0.773873 1.313600
C -3.132943 -0.043177 -2.334431
H 2.216788 0.716459 -1.333781
H 0.216698 -1.496343 -0.974154
H -0.183825 2.118071 -0.593612
H 0.117080 1.031048 2.012543
H 2.825823 -1.804517 -1.335793
H 1.969977 -2.907335 -0.219837
H -0.494390 0.359510 -2.225032
H 2.412919 1.967415 0.661852
H 2.627377 -1.182774 1.547069
H -2.036287 0.548086 3.048368
H 5.638192 -0.810299 2.372082
H 6.171250 -1.763896 0.907364
H 6.709543 -0.026865 1.118590
H -2.929732 -0.102873 -3.407443
H -6.290630 -0.178750 0.750393
H -6.759098 -0.382825 -0.947073


