%chk=000229023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229023

0 1
O 3.054402 -1.075536 -0.714019
N 0.760293 0.243307 1.036164
N -0.567285 1.614742 -0.313349
C 1.664154 1.374693 0.613036
C 0.753675 2.292131 -0.249691
C 1.351214 -1.108673 0.919472
C -0.510429 0.488696 0.353883
C 1.706586 -1.552275 -0.509387
C -1.617679 -0.451946 0.536593
C -2.704534 -0.440669 -0.249215
C -3.854395 -1.368352 -0.073739
H 2.556563 1.019760 0.057351
H 2.011776 1.882695 1.532914
H 0.647891 -1.837560 1.379531
H 2.282271 -1.125015 1.539288
H 0.624820 3.294213 0.206331
H 1.141431 2.444055 -1.275399
H 1.044249 -1.106807 -1.272139
H 1.704961 -2.651780 -0.607963
H -1.511515 -1.141191 1.376127
H -2.802034 0.274354 -1.074898
H 3.345769 -1.268605 -1.624827
H -4.053457 -1.934769 -0.995227
H -4.772471 -0.807332 0.162862
H -3.708354 -2.098133 0.733699


%chk=000229023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229023

0 1
O 2.920723 -1.202661 -0.890303
N 0.839601 0.286308 0.740204
N -0.663360 1.758057 -0.235827
C 1.698040 1.460474 0.409235
C 0.630396 2.503328 -0.070140
C 1.419072 -1.030151 1.006765
C -0.458561 0.536913 0.240704
C 1.772633 -1.860404 -0.242582
C -1.506886 -0.502004 0.299911
C -2.742664 -0.332228 -0.246577
C -3.857368 -1.345907 -0.201336
H 2.421837 1.188314 -0.381068
H 2.258760 1.798893 1.300297
H 0.726862 -1.624210 1.633432
H 2.343068 -0.893224 1.598255
H 0.482402 3.307773 0.676786
H 0.911888 2.985047 -1.023501
H 0.897546 -1.903213 -0.924242
H 2.038571 -2.894492 0.070416
H -1.270868 -1.439343 0.820650
H -2.938426 0.623966 -0.752613
H 3.115581 -1.642644 -1.755205
H -4.188885 -1.617620 -1.222972
H -4.745620 -0.930402 0.314443
H -3.556441 -2.270568 0.322668


