%chk=000258928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258928

0 1
S 0.781060 1.266806 2.626853
P 0.490354 0.446958 0.898919
N -0.481141 -1.049688 0.878965
N -0.505174 1.365384 -0.262781
C -1.672235 -0.727078 0.138873
C -1.685098 0.569328 -0.474097
C 2.015002 0.024131 -0.027230
C -0.661758 -1.749942 2.177149
C -0.707303 2.809857 0.021649
C -2.728715 -1.612800 -0.080092
C -2.754029 0.944894 -1.289528
C 1.898624 -0.570341 -1.285669
C 3.260580 0.301260 0.536534
C -3.791375 -1.220032 -0.903399
C -3.803863 0.042246 -1.500303
C 3.060996 -0.894296 -1.995041
C 4.418207 -0.026339 -0.180480
C 4.316950 -0.621991 -1.441733
H -1.238541 -1.186174 2.932370
H -1.180470 -2.708677 1.998479
H 0.325610 -1.996540 2.610702
H -1.280722 3.026160 0.941042
H 0.272499 3.317524 0.098802
H -1.240180 3.271786 -0.828546
H -2.723844 -2.599342 0.378766
H -2.768594 1.925446 -1.760849
H 0.923602 -0.789237 -1.731189
H 3.362000 0.767627 1.523494
H -4.615423 -1.910511 -1.077069
H -4.637598 0.332713 -2.137864
H 2.986782 -1.357925 -2.976834
H 5.397244 0.183854 0.246373
H 5.220356 -0.875357 -1.996467


%chk=000258928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258928

0 1
S 0.857158 1.395555 2.890632
P 0.437281 0.517775 1.043612
N -0.623688 -0.909892 0.991382
N -0.640620 1.338863 -0.109294
C -1.802007 -0.688613 0.243798
C -1.815035 0.600645 -0.381444
C 1.995019 0.097199 0.104089
C -0.462218 -2.046597 1.900270
C -0.497002 2.754541 -0.455720
C -2.892958 -1.565981 0.094205
C -2.920257 1.011270 -1.150769
C 1.882811 -0.429677 -1.205633
C 3.258907 0.300818 0.699685
C -3.998381 -1.153528 -0.695460
C -4.012302 0.117729 -1.309070
C 3.054442 -0.754872 -1.923100
C 4.427314 -0.028234 -0.024617
C 4.326070 -0.555384 -1.333187
H -1.331020 -2.137636 2.580688
H -0.348375 -2.990873 1.335236
H 0.437257 -1.897017 2.521299
H -1.348137 3.349103 -0.070470
H 0.426580 3.154279 -0.004187
H -0.436091 2.885379 -1.552534
H -2.889105 -2.550031 0.573531
H -2.937197 1.999086 -1.622100
H 0.895141 -0.578735 -1.656277
H 3.309313 0.715918 1.713559
H -4.848330 -1.832064 -0.824931
H -4.873050 0.423816 -1.913241
H 2.977429 -1.161316 -2.937379
H 5.411568 0.127103 0.430309
H 5.233285 -0.808924 -1.893081


