%chk=000208597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208597

0 1
N -3.019426 0.090972 1.244355
N -1.096067 -0.545552 0.040811
N 1.760674 0.429066 -0.365200
C -5.330116 -1.988576 0.247631
C -5.492981 0.251849 -0.865596
C -6.226567 -1.077332 -0.610391
C -3.273403 -1.061263 -1.007335
C -4.031872 -2.310277 -0.518761
C -4.195385 -0.011831 -1.656503
C -4.471432 0.100227 1.500044
C -5.061032 -1.325186 1.610204
C -5.234173 0.968349 0.471570
C -2.515916 -0.432769 0.165988
C -0.263850 0.163004 1.057051
C 1.216014 -0.221461 0.865276
C 2.479352 -0.525379 -1.257629
C 2.284744 1.751025 -0.254463
C 3.696661 -1.167048 -0.629647
C 2.890434 2.354129 -1.383997
C 2.114576 2.521863 0.917179
C 4.821993 -0.393758 -0.310025
C 3.705839 -2.545288 -0.371791
C 3.293636 3.685858 -1.336708
C 2.524505 3.854976 0.943108
C 3.115875 4.446633 -0.176175
C 5.945704 -0.995738 0.261569
C 4.833478 -3.144127 0.197769
C 5.954501 -2.371399 0.515443
H -5.865459 -2.951982 0.433100
H -6.144946 0.911062 -1.489772
H -7.188071 -0.893206 -0.099529
H -6.475431 -1.570562 -1.566135
H -2.545637 -1.400819 -1.788019
H -4.279204 -2.940993 -1.393928
H -3.361334 -2.919553 0.118410
H -3.642460 0.937193 -1.791010
H -4.463047 -0.356663 -2.673948
H -4.564790 0.593629 2.508214
H -6.005627 -1.275870 2.182828
H -4.375150 -1.955378 2.208231
H -4.670201 1.904469 0.297478
H -6.200862 1.274633 0.912522
H -0.748962 -0.376725 -0.908632
H -0.603555 -0.150252 2.072948
H -0.403546 1.266318 1.007597
H 1.793970 0.055704 1.775236
H 1.303144 -1.329165 0.780284
H 1.738754 -1.298443 -1.571629
H 2.774698 0.002876 -2.197467
H 3.027916 1.781607 -2.299700
H 1.664465 2.091712 1.807985
H 4.818937 0.680233 -0.501460
H 2.837051 -3.154711 -0.613919
H 3.752306 4.139243 -2.215240
H 2.382352 4.439455 1.852309
H 3.432496 5.484459 -0.146510
H 6.816629 -0.390923 0.509843
H 4.836917 -4.214841 0.394998
H 6.831282 -2.838368 0.959438


%chk=000208597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208597

0 1
N -2.400755 0.082504 1.279873
N -1.549748 1.701071 -0.160773
N 1.399741 1.092234 0.234242
C -3.529318 -2.370213 -0.635631
C -5.345997 -0.730190 -0.005978
C -5.062211 -2.133093 -0.603897
C -3.191017 0.157397 -1.154415
C -2.869564 -1.311634 -1.559985
C -4.719584 0.352865 -0.925190
C -3.314362 -1.046904 1.598934
C -2.977648 -2.348884 0.814079
C -4.819975 -0.677723 1.453488
C -2.380359 0.605793 0.074246
C -0.737354 2.322770 0.889562
C 0.488834 1.469692 1.327935
C 1.228395 -0.241463 -0.358140
C 2.325258 2.004795 -0.304004
C 2.289629 -1.284183 0.024736
C 3.201211 1.627013 -1.371707
C 2.435682 3.341588 0.197459
C 3.194911 -1.067998 1.089733
C 2.340198 -2.515058 -0.678325
C 4.121070 2.547105 -1.912756
C 3.367418 4.246507 -0.350215
C 4.216612 3.867471 -1.415118
C 4.130565 -2.064363 1.451150
C 3.271552 -3.513887 -0.318393
C 4.171250 -3.291782 0.750993
H -3.322899 -3.370392 -1.068029
H -6.441308 -0.558109 0.017661
H -5.554238 -2.914379 0.009357
H -5.483280 -2.206367 -1.627177
H -2.897575 0.808789 -2.003629
H -3.244532 -1.471197 -2.591892
H -1.771244 -1.458251 -1.590104
H -4.907054 1.364074 -0.514463
H -5.224463 0.304827 -1.912080
H -3.133755 -1.257570 2.670505
H -3.414239 -3.208363 1.363503
H -1.878571 -2.491003 0.817190
H -4.979841 0.327772 1.889479
H -5.412974 -1.392997 2.060040
H -1.459147 2.046513 -1.114188
H -1.371647 2.467784 1.785699
H -0.411431 3.311482 0.520747
H 1.038477 2.022188 2.116143
H 0.095546 0.549753 1.790676
H 0.240314 -0.617165 -0.032985
H 1.177122 -0.165851 -1.464877
H 3.189383 0.604591 -1.759385
H 1.800609 3.679651 1.021443
H 3.168040 -0.111558 1.622861
H 1.647237 -2.693444 -1.511724
H 4.779056 2.220388 -2.726872
H 3.425475 5.261268 0.061700
H 4.935878 4.575961 -1.838669
H 4.828913 -1.880481 2.275689
H 3.299149 -4.460374 -0.870698
H 4.896967 -4.063867 1.030472


