%chk=000212296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212296

0 1
S 1.675968 2.208010 -1.902506
O -2.429844 -1.851522 -1.133676
O -6.503435 0.268809 0.580803
N -0.325514 0.928017 -0.521064
N 1.990619 0.340419 -0.091602
C -2.359648 -0.076312 0.371769
C -0.864858 -0.169205 0.342757
C -3.161129 -0.960653 -0.387708
C -3.005076 0.887579 1.162343
C -4.561821 -0.907123 -0.366491
C 1.026731 1.001484 -0.733532
C -5.154278 0.072167 0.441197
C -4.391176 0.977602 1.208210
C 3.274739 0.787362 -0.491710
C 4.450927 0.164830 0.139563
C 3.295895 1.763138 -1.452195
C 5.627652 0.911972 0.319842
C 4.406094 -1.174843 0.561700
C 6.748626 0.318835 0.905459
C 5.531688 -1.761290 1.144896
C 6.703827 -1.017513 1.315817
C -3.138427 -2.838927 -1.923107
C -7.406467 -0.598285 -0.148966
H -0.425889 -0.053765 1.363437
H -0.527423 -1.168231 -0.029457
H -0.953962 1.263904 -1.249943
H -2.398330 1.581745 1.750798
H -5.159212 -1.593245 -0.949050
H -4.895692 1.721807 1.818461
H 4.147699 2.224271 -1.914324
H 5.663904 1.955964 0.012124
H 3.485553 -1.748766 0.437333
H 7.658187 0.900245 1.044253
H 5.493901 -2.799634 1.469306
H 7.579113 -1.477090 1.770584
H -3.747482 -2.347549 -2.686813
H -3.734066 -3.487243 -1.274356
H -2.307114 -3.394340 -2.378923
H -7.259290 -0.478737 -1.225903
H -8.386273 -0.209381 0.159965
H -7.278018 -1.635806 0.171907


%chk=000212296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212296

0 1
S 1.703976 0.368483 -3.126800
O -2.918660 -1.645228 -2.218369
O -5.065557 0.524203 1.710141
N -0.018347 -1.469552 -1.882693
N 1.835879 -0.606281 -0.622469
C -1.796001 -1.478441 -0.116676
C -0.627689 -2.213141 -0.757225
C -2.968465 -1.210284 -0.872808
C -1.769038 -1.042408 1.227066
C -4.086278 -0.548566 -0.312923
C 1.091930 -0.684631 -1.713590
C -4.022148 -0.138246 1.043847
C -2.863580 -0.380820 1.817324
C 2.937869 0.265714 -0.777320
C 3.861381 0.457800 0.363533
C 3.038123 0.873481 -2.021707
C 4.973215 1.342447 0.294343
C 3.638854 -0.258095 1.571916
C 5.834316 1.504749 1.398317
C 4.501687 -0.094447 2.676205
C 5.604439 0.787329 2.597174
C -4.117190 -1.470967 -3.042418
C -6.284671 0.814550 0.955073
H 0.165258 -2.391912 -0.014523
H -0.965716 -3.188460 -1.154065
H -0.609001 -1.347221 -2.706130
H -0.865869 -1.223023 1.820261
H -4.977637 -0.353025 -0.913312
H -2.840870 -0.044481 2.857156
H 3.782166 1.576318 -2.387521
H 5.168022 1.909605 -0.622881
H 2.781614 -0.936235 1.618187
H 6.685451 2.191500 1.325945
H 4.314060 -0.655136 3.599192
H 6.274825 0.915276 3.454437
H -4.364708 -0.399351 -3.170300
H -4.982894 -2.005522 -2.606361
H -3.864956 -1.910880 -4.018653
H -6.077542 1.478453 0.092615
H -6.946719 1.330226 1.665930
H -6.772833 -0.115082 0.601283


