%chk=000216726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216726

0 1
S -1.568841 0.731933 -1.954449
N 0.916823 -1.399568 -0.252742
N 3.601315 -1.291784 0.843797
C 1.385040 -2.406931 0.754131
C 2.074690 -0.928301 -1.081853
C 2.439318 -1.755875 1.672119
C 3.130431 -0.282981 -0.162358
C -0.174915 -1.957426 -1.117934
C 4.659081 -0.700818 1.716982
C -1.494580 -1.602339 -0.470911
C -2.158555 -0.397012 -0.733074
C -2.084665 -2.508477 0.428723
C -3.368023 -0.081722 -0.106278
C -3.294094 -2.201695 1.054846
C -3.937517 -0.986691 0.792727
C -0.649493 1.953874 -1.073641
C -0.014861 1.690561 0.139776
C -0.562184 3.207983 -1.686900
C 0.719567 2.709542 0.756169
C 0.182468 4.215283 -1.066002
C 0.819748 3.968734 0.155659
H 1.813031 -3.319833 0.285213
H 0.511651 -2.719636 1.365190
H 1.699455 -0.162522 -1.796538
H 2.542568 -1.744406 -1.673560
H 1.969181 -0.936220 2.257763
H 2.809554 -2.511421 2.396927
H 4.002896 0.031423 -0.773437
H 2.705772 0.633315 0.304780
H -0.098668 -3.057012 -1.268485
H -0.118495 -1.521004 -2.142963
H 5.020398 -1.473689 2.414177
H 4.344982 0.175316 2.302672
H 5.517236 -0.409062 1.090195
H -1.593712 -3.456287 0.641260
H -3.868588 0.865532 -0.316778
H -3.739052 -2.911350 1.751588
H -4.877856 -0.748299 1.285155
H -0.070572 0.696929 0.599213
H -1.066251 3.407062 -2.632309
H 1.213600 2.518128 1.706740
H 0.261568 5.195274 -1.532831
H 1.392056 4.758172 0.638043


%chk=000216726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216726

0 1
S -1.289010 0.745677 -2.123901
N 1.059561 -1.488561 -0.366661
N 3.660087 -1.490336 0.915425
C 1.265392 -2.137671 0.952035
C 2.312390 -1.506176 -1.166499
C 2.414231 -1.458169 1.714521
C 3.452544 -0.825468 -0.392767
C -0.088312 -2.067582 -1.123272
C 4.814349 -0.939691 1.650135
C -1.431795 -1.642989 -0.545781
C -2.032898 -0.390793 -0.853171
C -2.118079 -2.506714 0.348206
C -3.261372 -0.013421 -0.264074
C -3.341233 -2.132941 0.946701
C -3.911790 -0.875155 0.647121
C -0.651935 2.126222 -1.062896
C 0.205308 1.862182 0.030352
C -0.998174 3.452652 -1.409600
C 0.701821 2.943015 0.793470
C -0.478778 4.528253 -0.650329
C 0.364861 4.276383 0.456190
H 1.505216 -3.224977 0.832328
H 0.333914 -2.053696 1.540321
H 2.129425 -0.959832 -2.110112
H 2.623151 -2.551089 -1.417453
H 2.112560 -0.406260 1.963047
H 2.588053 -1.993126 2.667132
H 4.387198 -0.896484 -0.980035
H 3.205814 0.260261 -0.266634
H -0.031990 -3.184700 -1.143966
H -0.002233 -1.707255 -2.163147
H 4.965493 -1.506906 2.586314
H 4.694728 0.142074 1.915854
H 5.728258 -1.040923 1.037519
H -1.679087 -3.486942 0.572738
H -3.704558 0.952435 -0.527363
H -3.846410 -2.818126 1.636478
H -4.861035 -0.572476 1.102623
H 0.489470 0.824553 0.249168
H -1.669033 3.640617 -2.254714
H 1.362167 2.742758 1.645501
H -0.744204 5.557243 -0.918274
H 0.757444 5.110834 1.048277


