%chk=000205685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205685

0 1
O 0.961331 1.220420 0.518088
O -5.377866 0.564123 0.038066
N 5.733519 -0.906509 0.135741
N 2.378116 -0.562807 0.152716
N 0.036055 -0.806426 -0.171726
C 3.582851 0.293672 0.308840
C 4.238035 0.650151 -1.049456
C 4.673665 -0.483575 1.100425
C 5.667138 0.070501 -0.998651
C 1.103255 0.055218 0.185136
C -1.352998 -0.452279 -0.085076
C -2.293212 -1.485684 -0.236343
C -1.782107 0.880040 0.107694
C -3.662582 -1.201374 -0.205082
C -3.137187 1.168626 0.142776
C -4.071437 0.121452 -0.016135
C -6.427820 -0.421258 -0.101334
H 3.279340 1.223605 0.858083
H 4.254715 1.743833 -1.195368
H 3.667960 0.249745 -1.903021
H 5.146172 0.193909 1.845556
H 4.269970 -1.340297 1.670284
H 5.965923 -0.400997 -1.951665
H 6.408088 0.872556 -0.788848
H 5.530008 -1.850320 -0.208287
H 2.518006 -1.434852 -0.347669
H 0.224485 -1.797500 -0.319788
H -1.972882 -2.515483 -0.380461
H -1.045869 1.684184 0.235998
H -4.379342 -2.007015 -0.325516
H -3.495895 2.186427 0.291384
H -6.373676 -0.899764 -1.083117
H -7.329484 0.199788 -0.016911
H -6.377873 -1.149613 0.712868


%chk=000205685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205685

0 1
O 1.004092 1.432193 0.577400
O -5.521437 0.452884 0.226631
N 5.550669 -1.136084 0.266056
N 2.367596 -0.334340 -0.126483
N 0.039203 -0.595939 -0.162826
C 3.625909 0.388238 0.122327
C 4.494999 0.554560 -1.175010
C 4.581743 -0.377275 1.103917
C 5.826666 -0.220683 -0.880366
C 1.122136 0.250775 0.128570
C -1.352031 -0.307241 -0.050440
C -2.266078 -1.338115 -0.383856
C -1.859626 0.954250 0.371140
C -3.660903 -1.133330 -0.306559
C -3.248065 1.157780 0.447224
C -4.157167 0.124995 0.111243
C -6.489869 -0.589697 -0.110275
H 3.314435 1.359918 0.538407
H 4.677404 1.619518 -1.399787
H 3.957827 0.125426 -2.040431
H 5.147473 0.362256 1.702426
H 4.036087 -1.036923 1.798441
H 6.202328 -0.787362 -1.749283
H 6.617071 0.489693 -0.573229
H 5.151370 -2.031757 -0.055461
H 2.427787 -1.273140 -0.525618
H 0.255307 -1.540131 -0.488896
H -1.890783 -2.317793 -0.709186
H -1.159496 1.748847 0.633983
H -4.335465 -1.952954 -0.571005
H -3.650814 2.123025 0.769477
H -6.391347 -0.908012 -1.167280
H -7.476651 -0.129311 0.046059
H -6.381971 -1.471775 0.551890


