%chk=000206106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206106

0 1
O -0.225133 2.459836 1.291428
O 5.829771 -0.037246 0.834993
O 5.877671 -0.813661 -1.315152
N 1.508192 0.357125 -0.353430
N 3.978939 -1.121600 0.021999
C 2.438000 0.711104 0.771733
C 2.287443 -0.116171 -1.546497
C 3.235307 -0.543147 1.176759
C 3.095290 -1.370489 -1.153721
C -6.331169 1.709354 -0.139277
C -5.356967 1.444393 1.019421
C -7.165352 0.480092 -0.519928
C -4.084618 0.790715 0.553561
C -6.333401 -0.656710 -1.126122
C -5.362821 -1.298547 -0.121845
C 0.651154 1.527172 -0.717915
C -4.086758 -0.513599 0.011957
C -1.672300 0.905216 0.232510
C -2.875059 1.485463 0.664476
C -0.413460 1.685302 0.377625
C -2.877155 -1.092084 -0.401460
C -1.674593 -0.391477 -0.294411
C 5.269969 -0.638924 -0.277164
C 7.245662 0.326563 0.741285
C 7.403962 1.587553 -0.081487
H 1.824933 1.060637 1.635060
H 3.130641 1.543483 0.522072
H 2.966573 0.659380 -1.962012
H 1.568732 -0.382928 -2.351265
H 2.546192 -1.335661 1.551352
H 3.945167 -0.302783 2.000558
H 3.709701 -1.720023 -2.015579
H 2.408493 -2.201670 -0.871745
H -5.768736 2.071598 -1.022378
H -7.012990 2.535314 0.143723
H -5.135035 2.401311 1.534839
H -5.841611 0.807627 1.789007
H -7.715642 0.110770 0.367400
H -7.944081 0.784303 -1.247956
H -5.768611 -0.283883 -2.003447
H -7.016551 -1.436793 -1.515967
H -5.149157 -2.340325 -0.436068
H -5.847863 -1.389475 0.873222
H 0.160854 1.344781 -1.698314
H 1.210285 2.484210 -0.816452
H -2.853193 2.488735 1.096794
H -2.871876 -2.101051 -0.810871
H -0.737386 -0.860468 -0.603708
H 7.485219 0.467384 1.811372
H 7.802137 -0.529491 0.319716
H 6.748027 2.390507 0.276506
H 7.147930 1.402552 -1.136911
H 8.435175 1.958128 -0.053985


%chk=000206106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206106

0 1
O -0.745082 3.573699 -0.570472
O 5.362481 -0.441278 1.284445
O 5.917707 -1.169555 -0.886561
N 1.402035 0.872539 -1.275276
N 3.733765 -0.503046 -0.342628
C 1.988815 1.203614 0.051017
C 2.462684 0.455064 -2.231015
C 2.733371 -0.016239 0.626933
C 3.208905 -0.779748 -1.692634
C -6.413945 1.333662 0.453625
C -5.068595 1.398020 1.233868
C -7.063797 -0.069654 0.405067
C -3.862071 0.885331 0.458728
C -6.238029 -1.164129 -0.311741
C -4.869166 -1.481898 0.359448
C 0.580827 1.981710 -1.820906
C -3.768426 -0.481586 0.043486
C -1.673523 1.349259 -0.608302
C -2.815677 1.770015 0.127856
C -0.630784 2.366385 -0.945205
C -2.625775 -0.900517 -0.684632
C -1.585290 -0.008745 -1.013208
C 5.063218 -0.738680 -0.061902
C 6.792736 -0.610755 1.665857
C 7.610670 0.634870 1.312656
H 1.175195 1.487802 0.742347
H 2.692433 2.070184 -0.023550
H 3.198814 1.278070 -2.412439
H 1.990169 0.201244 -3.198459
H 1.997810 -0.821808 0.827238
H 3.240468 0.244579 1.566421
H 4.055866 -1.048123 -2.344170
H 2.506730 -1.636794 -1.644120
H -6.256125 1.713896 -0.575138
H -7.128894 2.026716 0.940054
H -4.876762 2.446451 1.528183
H -5.187198 0.824028 2.177459
H -7.265586 -0.403251 1.445127
H -8.051595 0.012427 -0.091397
H -6.068126 -0.879659 -1.369021
H -6.838769 -2.095284 -0.327367
H -4.537302 -2.487341 0.039717
H -5.028431 -1.536980 1.457236
H 0.204679 1.667042 -2.815627
H 1.168685 2.919933 -1.959960
H -2.863995 2.822586 0.430650
H -2.553652 -1.950190 -0.994628
H -0.692294 -0.356253 -1.540375
H 6.749204 -0.782042 2.753965
H 7.190146 -1.505194 1.154946
H 7.175699 1.537571 1.776166
H 7.648970 0.773644 0.219234
H 8.646710 0.520808 1.683305


