%chk=000186391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186391

0 1
O -1.225901 1.825666 0.169643
O -0.027303 -3.336959 1.221034
O -1.201771 -0.722404 -2.997027
O 0.492107 2.153403 1.617757
O 3.997884 -1.535080 1.750323
N 1.042656 0.122680 -0.711799
N 1.497094 -1.712884 0.805537
N 3.182585 -0.032101 0.215798
C -0.366714 -0.293563 -0.788112
C -0.534065 -1.836380 -0.638149
C -1.173115 0.377752 0.369251
C -2.002843 -2.282980 -0.584668
C -2.963905 -1.298289 0.021204
C -2.594533 -0.071096 0.414082
C 0.259097 -2.377212 0.544389
C -0.839936 0.129053 -2.216895
C 1.852168 -0.536739 0.089088
C -4.373477 -1.780924 0.131608
C -0.796219 1.577429 -2.557360
C -0.299237 2.610277 0.829005
C 4.194475 -0.548725 1.069863
C -0.496311 4.025428 0.408791
C 5.474373 0.224445 1.027847
H -0.081658 -2.311178 -1.560378
H -0.660555 0.187736 1.348302
H -2.071284 -3.257995 -0.047854
H -2.335026 -2.489169 -1.631970
H -3.294088 0.660899 0.812812
H 2.133796 -2.101196 1.532640
H -5.059158 -1.008229 0.505185
H -4.447410 -2.634703 0.821958
H -4.765528 -2.113335 -0.840501
H -1.496974 2.153087 -1.926603
H 0.205810 1.995908 -2.369912
H -1.056054 1.754419 -3.609469
H 3.356759 0.831982 -0.317924
H -1.471710 4.189444 -0.075906
H 0.283231 4.329245 -0.307490
H -0.428036 4.702935 1.274656
H 6.229621 -0.262276 1.671789
H 5.355652 1.252191 1.404319
H 5.907801 0.283339 0.018935


%chk=000186391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186391

0 1
O -1.177403 1.873044 0.144822
O -0.030604 -3.337579 1.287136
O -1.286112 -0.845384 -3.063423
O 0.599426 2.110536 1.656048
O 3.945254 -1.492391 1.846770
N 1.048865 0.125623 -0.797582
N 1.470076 -1.639637 0.802605
N 3.142297 -0.031638 0.205240
C -0.372847 -0.319267 -0.848682
C -0.539785 -1.859142 -0.635286
C -1.162380 0.387547 0.309735
C -2.012900 -2.332207 -0.566299
C -2.988841 -1.317951 0.003261
C -2.594789 -0.073388 0.385327
C 0.275478 -2.345132 0.576958
C -0.872536 0.055641 -2.289271
C 1.822376 -0.520226 0.037741
C -4.426386 -1.778419 0.116072
C -0.763010 1.497286 -2.736843
C -0.232877 2.616346 0.872139
C 4.125328 -0.491430 1.084309
C -0.392183 4.088898 0.563417
C 5.415934 0.309125 1.089145
H -0.076695 -2.344039 -1.521268
H -0.609507 0.195365 1.252889
H -2.044556 -3.254764 0.047077
H -2.347808 -2.606416 -1.583451
H -3.308276 0.643669 0.808507
H 2.164923 -1.979618 1.495598
H -5.082431 -0.989978 0.522570
H -4.505250 -2.666752 0.772699
H -4.821070 -2.079979 -0.874007
H -1.523877 2.107177 -2.217593
H 0.224178 1.897687 -2.450946
H -0.913644 1.556389 -3.825974
H 3.317811 0.810954 -0.347966
H -1.439912 4.401251 0.709568
H -0.137298 4.279332 -0.494539
H 0.270702 4.678952 1.212354
H 6.265662 -0.384341 1.189369
H 5.425424 0.974242 1.971749
H 5.551540 0.924516 0.183827


