%chk=000223737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223737

0 1
N 0.680020 -0.004833 -0.885242
N -3.988131 -0.001534 -0.346197
N -3.725854 -0.008658 -1.694608
N -0.222593 0.007008 1.320075
N -2.631328 0.009433 1.759088
C 2.051376 -0.002528 -0.421045
C -1.735188 -0.002887 -0.574325
C -0.407923 -0.000170 -0.043727
C 2.710098 1.229220 -0.211617
C 2.710218 -1.232200 -0.200105
C -2.807426 0.002230 0.391488
C -2.382231 -0.009585 -1.854244
C 4.059005 1.213044 0.171957
C 4.059123 -1.212308 0.183296
C 1.988698 2.524214 -0.381993
C 1.988951 -2.528805 -0.358390
C 4.725393 0.001269 0.363396
C -5.364807 0.001133 0.165734
C -1.330333 0.011318 2.135027
H 0.539603 -0.009961 -1.890800
H -1.917124 -0.014706 -2.825933
H 4.586163 2.151423 0.332022
H 4.586373 -2.149098 0.352125
H 1.149676 2.593165 0.331739
H 2.631762 3.395764 -0.204665
H 1.565916 2.630902 -1.389808
H 1.149760 -2.591088 0.355746
H 1.566415 -2.645040 -1.365253
H 2.632048 -3.398586 -0.172693
H 5.773314 0.002723 0.663447
H -5.912241 0.893158 -0.191755
H -5.910351 -0.897670 -0.177394
H -5.351950 0.009967 1.273604
H -1.119334 0.017086 3.218648


%chk=000223737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223737

0 1
N 0.694083 -0.006079 -0.881148
N -3.993390 -0.000916 -0.338617
N -3.768019 -0.009354 -1.716230
N -0.233923 0.007403 1.292659
N -2.653894 0.010855 1.731044
C 2.067217 -0.003210 -0.410482
C -1.750348 -0.003623 -0.600668
C -0.416315 -0.000833 -0.065511
C 2.722448 1.242332 -0.207470
C 2.724023 -1.246144 -0.196851
C -2.804612 0.002660 0.370570
C -2.414348 -0.010968 -1.873424
C 4.079933 1.225073 0.199127
C 4.081514 -1.223650 0.209505
C 1.976322 2.550256 -0.390193
C 1.979640 -2.556564 -0.368532
C 4.757306 0.001990 0.402875
C -5.350652 0.002936 0.202267
C -1.345048 0.012604 2.099711
H 0.534246 -0.011896 -1.890544
H -2.000390 -0.017150 -2.881572
H 4.601557 2.175814 0.362003
H 4.604393 -2.172285 0.380466
H 1.128837 2.618472 0.317579
H 2.640879 3.413053 -0.211368
H 1.552182 2.651451 -1.407407
H 1.132236 -2.620101 0.339771
H 1.555643 -2.666895 -1.384860
H 2.645411 -3.416898 -0.182476
H 5.807813 0.003981 0.716193
H -5.896857 0.897766 -0.139491
H -5.896245 -0.897945 -0.124335
H -5.271525 0.012115 1.300151
H -1.143019 0.019150 3.174851


