%chk=000216616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216616

0 1
S 1.038231 2.134034 0.228205
O -0.743739 -2.687859 -0.080367
O 3.746503 -0.590261 0.141721
N 1.517888 -0.904164 0.154562
N -2.211782 -0.956749 -0.079168
N -1.468646 1.349780 0.052951
N -3.774170 0.873439 -0.048803
C 0.176674 -0.454076 0.053268
C -0.175562 0.878057 0.090455
C 2.445024 1.309688 -0.536422
C -0.861881 -1.482256 -0.043453
C 2.648258 -0.099592 -0.048479
C -2.462686 0.434107 -0.019599
H 3.352277 1.917738 -0.307049
H 2.357876 1.313035 -1.645455
H 1.655272 -1.893383 0.396612
H -2.973500 -1.638243 -0.146165
H -3.961662 1.867294 -0.006505
H -4.553375 0.245308 -0.105008


%chk=000216616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216616

0 1
S 1.041425 2.244747 0.242280
O -0.650656 -2.691814 -0.049293
O 3.801363 -0.654987 0.148825
N 1.489087 -0.879295 0.144944
N -2.192715 -0.918916 -0.080258
N -1.521082 1.368033 0.043997
N -3.800199 0.838938 -0.044800
C 0.164612 -0.408367 0.024237
C -0.212994 0.937426 0.072416
C 2.485347 1.286388 -0.533187
C -0.861828 -1.437177 -0.043736
C 2.656147 -0.147103 -0.025913
C -2.481842 0.439536 -0.024680
H 3.395107 1.851712 -0.287943
H 2.339441 1.277329 -1.627495
H 1.583709 -1.888543 0.319152
H -2.927497 -1.631488 -0.131371
H -3.976863 1.840215 -0.006188
H -4.579563 0.189263 -0.089685


