%chk=000206891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206891

0 1
O 4.847272 0.582040 0.717183
N 2.185187 0.210157 -0.222827
N 1.167407 -0.517465 -0.910612
N -2.906605 -0.057319 0.309253
C 3.319891 0.440869 -1.188435
C 2.685173 -0.527167 0.996775
C -0.169099 -0.325649 -0.436838
C 4.391504 1.270011 -0.464652
C 3.778451 0.331015 1.651006
C -1.018030 -1.469447 -0.371427
C -0.705252 0.955888 -0.146578
C -2.392489 -1.276371 -0.002856
C -2.091156 1.032356 0.241009
C -0.583516 -2.814897 -0.647901
C 0.025816 2.193744 -0.238100
C -3.284312 -2.418047 0.060250
C -2.674462 2.313903 0.574621
C -1.443537 -3.870310 -0.575162
C -0.557125 3.388608 0.071447
C -2.821099 -3.666507 -0.218265
C -1.926733 3.449110 0.494848
H 2.921135 0.998719 -2.065366
H 3.762986 -0.501033 -1.576300
H 3.084088 -1.537377 0.767280
H 1.832216 -0.655086 1.698881
H 1.395998 -1.518151 -1.078079
H 5.317295 1.361551 -1.060525
H 4.017414 2.270013 -0.181298
H 3.379147 1.294794 2.015170
H 4.294671 -0.204687 2.467579
H 0.460125 -2.977596 -0.924591
H 1.065633 2.162246 -0.571541
H -4.323113 -2.225233 0.335388
H -3.721395 2.322626 0.881734
H -1.111668 -4.885183 -0.785369
H 0.000776 4.319592 -0.001058
H -3.477372 -4.535667 -0.177448
H -2.350022 4.422348 0.742704


%chk=000206891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206891

0 1
O 5.066962 0.784669 0.372338
N 2.276664 0.141871 -0.027064
N 1.184742 -0.715342 -0.335487
N -3.049625 -0.033467 0.015159
C 3.204818 0.263117 -1.188288
C 2.996970 -0.308175 1.202975
C -0.171668 -0.426413 -0.174636
C 4.339723 1.237141 -0.823953
C 4.135429 0.681715 1.507121
C -1.088917 -1.540641 -0.306379
C -0.715241 0.885814 0.074431
C -2.517439 -1.274496 -0.214630
C -2.171319 1.008192 0.162505
C -0.672118 -2.902319 -0.519783
C 0.069477 2.086525 0.225703
C -3.444616 -2.365871 -0.365865
C -2.750244 2.304562 0.405768
C -1.596351 -3.937237 -0.657351
C -0.530144 3.323088 0.454081
C -3.002433 -3.665795 -0.585963
C -1.956939 3.437037 0.548813
H 2.634153 0.644195 -2.052961
H 3.641625 -0.728881 -1.459942
H 3.420286 -1.332834 1.066763
H 2.277064 -0.331121 2.039696
H 1.432456 -1.687295 -0.558973
H 5.088975 1.284380 -1.630395
H 3.919302 2.250752 -0.648719
H 3.708134 1.681308 1.736698
H 4.740036 0.335139 2.360500
H 0.390081 -3.174336 -0.565745
H 1.155544 1.998094 0.166972
H -4.507734 -2.116171 -0.295198
H -3.842024 2.345887 0.467164
H -1.247197 -4.963670 -0.813949
H 0.094094 4.217066 0.564255
H -3.721037 -4.485068 -0.697920
H -2.416288 4.414980 0.732158


