%chk=000220466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220466

0 1
S -0.971233 -3.921297 0.319238
S 0.996557 -3.916700 -0.297909
N -1.880449 -1.351834 0.158499
N 1.889162 -1.340490 -0.152111
N -4.084240 2.454134 1.025829
N 4.066344 2.474927 -1.042899
C -2.551831 -0.501475 -0.719215
C 2.555402 -0.480866 0.720523
C -1.705568 -2.593154 -0.469018
C 1.722391 -2.579296 0.482536
C -2.789815 -1.216141 -1.913964
C 2.798317 -1.187193 1.919225
C -2.930235 0.874148 -0.414641
C 2.924841 0.895403 0.408017
C -2.266614 -2.516403 -1.753907
C 2.283302 -2.491633 1.766780
C -1.418890 -1.018843 1.510458
C 1.425175 -1.017898 -1.505756
C -2.551493 1.921492 -1.270883
C 2.541343 1.944871 1.259550
C -3.709758 1.187533 0.721156
C 3.700229 1.207655 -0.730914
C -2.940507 3.227321 -0.967377
C 2.921751 3.251453 0.948508
C -3.702471 3.455629 0.190844
C 3.680062 3.478395 -0.212382
H -3.297758 -0.834287 -2.776673
H 3.304099 -0.797235 2.779576
H -2.295426 -3.311091 -2.475974
H 2.317368 -3.281971 2.493378
H -0.382332 -1.378884 1.678965
H -1.422467 0.071791 1.679309
H -2.062228 -1.494719 2.274542
H 1.416598 0.072088 -1.678661
H 2.074570 -1.489364 -2.267429
H 0.392889 -1.390174 -1.673918
H -1.960612 1.710875 -2.163050
H 1.953469 1.735291 2.153946
H -4.055283 0.402573 1.405158
H 4.049263 0.421305 -1.411518
H -2.661388 4.055156 -1.615664
H 2.638810 4.080930 1.593028
H -4.027895 4.464454 0.470900
H 3.998749 4.487725 -0.498304


%chk=000220466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220466

0 1
S -1.172576 -4.122790 0.410640
S 1.199506 -4.117681 -0.388042
N -1.896059 -1.413194 0.211963
N 1.905554 -1.402247 -0.205664
N -3.313525 2.777855 1.047896
N 3.294874 2.793887 -1.064899
C -2.488338 -0.520360 -0.688939
C 2.491681 -0.500229 0.690132
C -1.867357 -2.705716 -0.375381
C 1.884986 -2.691408 0.389455
C -2.827773 -1.250714 -1.862149
C 2.835597 -1.221416 1.867703
C -2.713950 0.911954 -0.448587
C 2.707955 0.932147 0.441738
C -2.450103 -2.600058 -1.664261
C 2.466755 -2.574312 1.677769
C -1.323115 -1.090368 1.529358
C 1.331246 -1.091002 -1.525246
C -2.601031 1.834584 -1.529578
C 2.589908 1.859771 1.517916
C -3.091698 1.453259 0.816984
C 3.081399 1.469155 -0.826933
C -2.843628 3.204197 -1.309603
C 2.823842 3.229678 1.290639
C -3.183638 3.636957 -0.006137
C 3.160392 3.657689 -0.015298
H -3.344410 -0.834373 -2.725764
H 3.349231 -0.796575 2.728975
H -2.574740 -3.436573 -2.348536
H 2.596554 -3.405938 2.367020
H -0.575090 -1.856946 1.783884
H -0.835440 -0.102634 1.497018
H -2.097890 -1.088183 2.316254
H 0.835927 -0.106888 -1.498696
H 2.106657 -1.087161 -2.311511
H 0.589346 -1.864653 -1.776267
H -2.307493 1.474286 -2.521304
H 2.299245 1.502859 2.511706
H -3.253264 0.798405 1.679367
H 3.246376 0.810850 -1.686030
H -2.757260 3.928638 -2.125320
H 2.733458 3.957826 2.102615
H -3.362317 4.695486 0.212310
H 3.332403 4.716139 -0.239402


