%chk=000187466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187466

0 1
O -4.973763 -0.178606 0.353374
N 1.674759 -1.619555 0.081846
C -3.957234 0.815450 0.646457
C -3.760513 -0.259405 -0.437640
C -3.496848 2.106724 0.034311
C -2.375216 -0.739128 -0.223966
C -1.991554 1.794950 -0.307362
C -1.506500 0.346460 -0.211745
C -0.087781 0.085910 -0.118210
C -1.937794 -2.091216 -0.109287
C 0.356159 -1.283263 -0.011473
C -0.607070 -2.362633 -0.001347
C 0.896362 1.089378 -0.125654
C 2.251629 0.758238 -0.031558
C 2.607967 -0.634494 0.073164
C 3.307278 1.743063 -0.034542
C 4.008378 -0.999772 0.172254
C 4.610554 1.360141 0.060182
C 4.965137 -0.033218 0.165261
H -3.623120 0.665849 1.682816
H -4.019578 -0.113544 -1.494726
H -3.566286 2.960912 0.728644
H -4.058254 2.395601 -0.870420
H -1.363741 2.419732 0.359221
H -1.796730 2.142860 -1.342428
H -2.690807 -2.880476 -0.106920
H -0.223771 -3.380760 0.092615
H 0.606414 2.138379 -0.205157
H 3.028104 2.792817 -0.114276
H 4.246516 -2.062214 0.250617
H 5.416746 2.092760 0.059199
H 6.022959 -0.286843 0.238851


%chk=000187466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187466

0 1
O -5.135764 -0.185101 0.362736
N 1.704527 -1.658695 0.067851
C -4.038048 0.864415 0.549524
C -3.792945 -0.263693 -0.382648
C -3.564292 2.153485 -0.085226
C -2.404912 -0.776803 -0.145852
C -1.995780 1.823824 -0.187654
C -1.520371 0.332674 -0.136175
C -0.095509 0.067366 -0.079221
C -1.937722 -2.128230 -0.075418
C 0.377708 -1.319995 0.001812
C -0.577070 -2.396127 0.010882
C 0.895983 1.082506 -0.092041
C 2.271384 0.754971 -0.024590
C 2.637275 -0.656010 0.056253
C 3.314917 1.746829 -0.035180
C 4.030657 -1.011599 0.123287
C 4.651485 1.367033 0.030932
C 5.011640 -0.025061 0.110858
H -3.631094 0.723036 1.561718
H -4.006450 -0.064793 -1.443995
H -3.718170 3.063488 0.520896
H -3.998009 2.318258 -1.086166
H -1.488035 2.352550 0.642642
H -1.611021 2.281599 -1.120454
H -2.672207 -2.939838 -0.081283
H -0.183096 -3.414305 0.076328
H 0.610062 2.137708 -0.159680
H 3.039005 2.806703 -0.096235
H 4.276590 -2.076148 0.183329
H 5.441296 2.126001 0.022701
H 6.070370 -0.301953 0.162170


