%chk=000207656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207656

0 1
O 5.630293 0.343453 -0.749301
O -0.735975 0.070193 2.301371
O -3.325183 -2.704464 -0.515467
O -1.319738 -2.173392 0.093786
N 2.912635 0.027884 0.067415
N -2.470279 -1.893654 -0.205019
C 3.554037 1.382738 0.027830
C 3.938685 -1.016813 0.389580
C 1.770149 -0.006716 1.034489
C 4.658877 1.368079 -1.041288
C 5.037312 -0.970249 -0.684586
C 0.474118 0.141729 0.218074
C -0.739025 0.198669 1.101504
C -2.035308 0.517781 0.373430
C -2.851208 -0.459617 -0.214055
C -2.439553 1.857315 0.324983
C -4.062840 -0.109859 -0.834775
C -3.639401 2.211424 -0.299724
C -4.451158 1.228833 -0.878549
H 3.985203 1.686555 1.006497
H 2.779137 2.130851 -0.239538
H 3.441403 -2.010980 0.374039
H 4.390819 -0.885366 1.396097
H 1.823897 0.782733 1.814638
H 1.736573 -0.971419 1.589381
H 4.248233 1.196351 -2.051862
H 5.270070 2.286942 -1.023903
H 5.900934 -1.607557 -0.426768
H 4.645369 -1.236393 -1.682126
H 0.528081 1.025433 -0.448824
H 0.383465 -0.728089 -0.479980
H -1.820562 2.627761 0.789209
H -4.692229 -0.892518 -1.274815
H -3.946308 3.258915 -0.330925
H -5.389724 1.507248 -1.360217


%chk=000207656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207656

0 1
O 5.724664 0.022808 -0.686737
O -0.568692 1.331291 2.212636
O -2.263826 -2.553041 -1.030059
O -0.949828 -1.772960 0.661560
N 2.905505 -0.057315 0.011105
N -1.899434 -1.629946 -0.207180
C 3.674201 1.211954 0.054827
C 3.800703 -1.210583 0.289955
C 1.691062 -0.036714 0.856320
C 4.831106 1.161185 -0.956690
C 4.951892 -1.231303 -0.728647
C 0.517123 0.668202 0.131361
C -0.689962 0.896383 1.034548
C -2.081591 0.796976 0.427266
C -2.626166 -0.338063 -0.228113
C -2.890674 1.959172 0.487291
C -3.897912 -0.322592 -0.841880
C -4.166425 1.994402 -0.116679
C -4.667196 0.856394 -0.793056
H 4.086290 1.400744 1.078217
H 3.008530 2.058649 -0.200014
H 3.217361 -2.146423 0.204328
H 4.229024 -1.161852 1.322421
H 1.861909 0.459527 1.839689
H 1.386382 -1.077920 1.060492
H 4.419026 1.077910 -1.985797
H 5.467102 2.058841 -0.881495
H 5.675100 -2.030658 -0.497243
H 4.539016 -1.381623 -1.749509
H 0.843916 1.678334 -0.197141
H 0.252967 0.111636 -0.782751
H -2.499885 2.835266 1.014435
H -4.265420 -1.232745 -1.323414
H -4.768758 2.906899 -0.058771
H -5.656311 0.880968 -1.260672


