%chk=000237937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237937

0 1
S -2.715824 -1.265375 -0.001112
S 2.716873 -1.265057 -0.001876
N -1.231821 0.950571 0.000028
N 1.232609 0.950715 -0.000294
N 0.000276 2.974966 0.001545
C -5.332640 -0.686922 -0.000743
C 5.333620 -0.686296 -0.001086
C -3.992339 0.036543 -0.000133
C 3.993234 0.037012 -0.001108
C -1.188845 -0.404140 -0.000773
C 1.189792 -0.404000 -0.001100
C -6.487873 0.314134 0.000311
C 6.488736 0.314895 -0.000743
C 0.000517 -1.147238 -0.001372
C 0.000356 1.598083 0.000332
H -5.420351 -1.349152 -0.887841
H -5.420248 -1.350877 0.885076
H 5.421237 -1.349554 0.885254
H 5.421480 -1.349205 -0.887664
H -3.867994 0.689551 -0.885412
H -3.868026 0.688147 0.886181
H 3.868651 0.688982 0.884907
H 3.869007 0.689626 -0.886688
H -6.462911 0.963306 -0.882807
H -7.455006 -0.202296 -0.000424
H -6.463118 0.961193 0.884984
H 6.463529 0.963025 0.883134
H 7.455930 -0.201422 -0.000430
H 6.464074 0.962993 -0.884658
H 0.000581 -2.233825 -0.002024
H 0.867773 3.483958 0.000951
H -0.867279 3.483858 0.001184


%chk=000237937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237937

0 1
S -2.781081 -1.450589 -0.002274
S 2.782151 -1.450264 -0.002285
N -1.224211 0.818944 -0.001086
N 1.225016 0.819088 -0.001147
N 0.000286 2.815428 -0.000081
C -5.454592 -0.604975 -0.000483
C 5.455563 -0.604338 -0.000661
C -4.029228 -0.023610 -0.000493
C 4.030132 -0.023140 -0.001064
C -1.201590 -0.542397 -0.001828
C 1.202554 -0.542255 -0.001867
C -6.513928 0.520640 0.001678
C 6.514765 0.521406 0.000379
C 0.000526 -1.290872 -0.002258
C 0.000366 1.438867 -0.000786
H -5.595962 -1.247842 -0.890782
H -5.594959 -1.250239 0.888246
H 5.596074 -1.248798 0.888625
H 5.596944 -1.247975 -0.890406
H -3.830907 0.589856 -0.893975
H -3.830244 0.588146 0.894015
H 3.830990 0.589027 0.893125
H 3.831827 0.589869 -0.894865
H -6.413765 1.165371 -0.891602
H -7.534993 0.097837 0.001622
H -6.412788 1.162795 0.896696
H 6.413549 1.164461 0.894744
H 7.535881 0.098725 0.000760
H 6.414524 1.165213 -0.893555
H 0.000590 -2.382620 -0.002792
H 0.887698 3.310272 -0.000025
H -0.887184 3.310170 0.000025


