%chk=000208401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208401

0 1
S -0.269666 0.841277 -1.259369
O 1.923528 2.370468 -1.300952
N 2.617725 -0.947995 -0.126759
N 2.935061 2.032430 0.717716
N -1.987238 0.482776 0.776177
N 0.924466 -2.953680 0.904999
C 0.882709 0.756172 0.152164
C 1.353413 -0.654694 0.283349
C 1.962245 1.761370 -0.251510
C -1.871426 0.652776 -0.562270
C 0.511424 -1.669669 0.817203
C -2.966817 0.708149 -1.442398
C 3.027037 -2.239359 -0.040483
C -4.243554 0.583768 -0.893108
C 2.177899 -3.244676 0.467536
C -4.392014 0.412028 0.490256
C -3.243094 0.366201 1.291828
H 0.375264 1.093599 1.099897
H -0.503929 -1.446556 1.177623
H -2.826716 0.846337 -2.513678
H 4.044615 -2.455142 -0.384812
H -5.122971 0.621240 -1.537412
H 3.151983 1.351396 1.428801
H 3.724397 2.602087 0.436494
H 2.492506 -4.291481 0.534724
H -5.379705 0.315782 0.934061
H -3.303742 0.232896 2.378022


%chk=000208401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208401

0 1
S -0.136297 0.899000 -1.276431
O 1.555010 3.047981 0.919592
N 2.531416 -1.004807 -0.154126
N 3.047702 1.709279 -0.279378
N -2.048345 0.392593 0.664663
N 1.127654 -2.869566 1.477891
C 0.858283 0.769011 0.369608
C 1.390175 -0.637688 0.516412
C 1.861324 1.948362 0.373383
C -1.848566 0.676955 -0.645142
C 0.703611 -1.581744 1.331067
C -2.908703 0.822107 -1.579001
C 2.957561 -2.290827 -0.012049
C -4.228132 0.666378 -1.111771
C 2.260059 -3.219007 0.795416
C -4.453787 0.376692 0.257928
C -3.334387 0.250760 1.105079
H 0.095298 0.967285 1.140182
H -0.212698 -1.291830 1.853243
H -2.701380 1.057764 -2.627290
H 3.867587 -2.574400 -0.549960
H -5.068918 0.775289 -1.804647
H 3.251933 0.747965 -0.598343
H 3.737812 2.458882 -0.322264
H 2.605031 -4.251640 0.906327
H -5.464755 0.253210 0.656185
H -3.451088 0.029496 2.171526


