%chk=000187179.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187179

0 1
O 1.975881 -0.822173 1.960095
O 1.427619 2.497298 -1.403434
N 0.067956 1.724370 0.116514
N 0.288790 2.328891 -1.046926
C 1.485531 -0.258065 0.735517
C 1.134053 1.222974 1.025388
C -1.352538 1.461431 0.494123
C 2.496151 -0.409439 -0.402267
C -1.808403 0.075940 0.009596
C -3.219551 -0.243200 0.513850
C 2.700576 -1.881396 -0.780730
C -3.688295 -1.620448 0.022506
C 3.789996 -2.046411 -1.836233
C -5.095034 -1.945267 0.518568
H 0.553438 -0.857043 0.560950
H 2.033359 1.872067 0.916320
H 0.806858 1.314126 2.084850
H -1.449854 1.546293 1.599079
H -1.999021 2.255190 0.051404
H 2.157015 0.171707 -1.287298
H 3.464671 0.050108 -0.125090
H -1.778604 0.037092 -1.097914
H -1.090889 -0.702931 0.355585
H -3.245423 -0.214735 1.620754
H -3.930712 0.535067 0.174075
H 2.957514 -2.466424 0.126234
H 1.749586 -2.309671 -1.154486
H -2.982102 -2.403159 0.363497
H -3.665599 -1.653929 -1.084726
H 3.553978 -1.489975 -2.751347
H 3.913780 -3.098901 -2.115873
H 4.761260 -1.686499 -1.478387
H 2.916520 -0.601713 2.103887
H -5.421731 -2.929512 0.163263
H -5.145506 -1.960537 1.613365
H -5.828872 -1.211222 0.166490


%chk=000187179-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187179

0 1
O 2.507916 -0.801744 1.992289
O 1.700346 2.665706 -0.924619
N 0.103161 1.540962 0.210131
N 0.440532 2.416041 -0.817762
C 1.692816 -0.374521 0.834105
C 1.102190 1.027567 1.169636
C -1.348552 1.344250 0.395012
C 2.491891 -0.426191 -0.481207
C -1.824718 -0.118510 0.254921
C -3.361889 -0.220778 0.381658
C 2.953311 -1.854459 -0.848516
C -3.881831 -1.672196 0.264063
C 3.836631 -1.879510 -2.114162
C -5.417285 -1.768894 0.391010
H 0.881538 -1.124051 0.810779
H 1.929236 1.765765 1.193613
H 0.631233 0.972086 2.167286
H -1.640708 1.731018 1.393238
H -1.834954 1.976759 -0.369191
H 1.871174 -0.014256 -1.299914
H 3.367453 0.252573 -0.400121
H -1.501361 -0.517186 -0.726717
H -1.355672 -0.750120 1.035328
H -3.683100 0.202243 1.356656
H -3.839686 0.402922 -0.402179
H 3.503059 -2.293003 0.006695
H 2.061112 -2.495064 -1.004612
H -3.404476 -2.295505 1.047372
H -3.561796 -2.095932 -0.709407
H 3.298228 -1.461946 -2.985835
H 4.146704 -2.909544 -2.368556
H 4.752908 -1.276608 -1.969680
H 3.360344 -0.293948 1.977430
H -5.764094 -2.814572 0.302767
H -5.760308 -1.380724 1.368560
H -5.918954 -1.178725 -0.398868


