%chk=000208642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208642

0 1
O 0.133880 3.495514 0.752943
N -1.229066 -0.619351 -0.759670
N -0.449206 1.406218 0.019362
N 1.206536 -0.304911 -0.574187
N 0.520223 -4.228802 0.155368
C -1.281775 -2.066756 -1.068896
C -2.355928 0.192345 -0.422474
C -0.058306 0.095305 -0.443028
C -1.877095 1.466761 0.034511
C -1.564056 -2.925188 0.171501
C -0.280075 -3.246414 0.959330
C 0.527246 2.416251 0.370829
C -3.722514 -0.061188 -0.510388
C 1.903611 1.944646 0.201594
C -2.750233 2.485828 0.397195
C 2.200785 0.632827 -0.258017
C -4.593552 0.971550 -0.141563
C -4.120477 2.215819 0.301317
C 2.965781 2.831182 0.506140
C 3.558197 0.231922 -0.405193
C 0.457764 -5.595685 0.750868
C 1.935589 -3.783048 0.004831
C 4.278426 2.426841 0.358885
C 4.570028 1.119928 -0.100525
H -0.305180 -2.366560 -1.531659
H -2.068909 -2.217121 -1.841403
H -2.038445 -3.873487 -0.157418
H -2.295730 -2.429524 0.837142
H -0.548919 -3.630084 1.965281
H 0.291146 -2.308629 1.136804
H -4.100009 -1.020004 -0.853978
H -2.367278 3.450361 0.739114
H -5.669078 0.802186 -0.201212
H -4.834402 2.992105 0.577120
H 2.719968 3.837528 0.858207
H 3.769714 -0.775247 -0.763725
H 0.973175 -6.299653 0.077368
H -0.594126 -5.915793 0.809834
H 0.907182 -5.688087 1.750328
H 1.947430 -2.776932 -0.457027
H 2.452034 -4.464038 -0.689148
H 2.511227 -3.737442 0.939722
H 5.096072 3.105368 0.591586
H 5.613448 0.820060 -0.212875


%chk=000208642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208642

0 1
O 0.146394 3.582468 0.623416
N -1.214743 -0.648693 -0.577713
N -0.433080 1.398183 0.001054
N 1.196771 -0.336043 -0.563079
N 0.659181 -4.079534 0.275629
C -1.267991 -2.053039 -1.025609
C -2.328909 0.173516 -0.301899
C -0.044203 0.089830 -0.395534
C -1.849221 1.467111 0.064159
C -1.612080 -3.038571 0.116136
C -0.383166 -3.323628 1.010374
C 0.524557 2.426960 0.268015
C -3.708068 -0.099087 -0.356713
C 1.912978 1.971719 0.078816
C -2.721733 2.518539 0.391173
C 2.199694 0.618173 -0.330215
C -4.591786 0.957866 -0.030582
C -4.109483 2.240365 0.338253
C 2.976821 2.887476 0.303827
C 3.560688 0.231037 -0.502468
C 0.399028 -5.530838 0.231258
C 2.034829 -3.763863 0.711833
C 4.308825 2.485550 0.130099
C 4.596093 1.149708 -0.276316
H -0.273333 -2.317019 -1.425477
H -2.008907 -2.118598 -1.844183
H -1.969280 -3.983473 -0.336524
H -2.443990 -2.642823 0.731004
H -0.708770 -3.857858 1.937576
H 0.053710 -2.360854 1.334154
H -4.087980 -1.085002 -0.639924
H -2.328115 3.498209 0.667542
H -5.671839 0.778886 -0.063511
H -4.822828 3.033122 0.585622
H 2.719142 3.906014 0.613183
H 3.763804 -0.796335 -0.820260
H 1.132786 -6.020221 -0.434188
H -0.607931 -5.730307 -0.176812
H 0.463091 -6.020957 1.236841
H 2.204877 -2.678461 0.609151
H 2.756691 -4.288405 0.059040
H 2.249217 -4.064868 1.768436
H 5.126043 3.193112 0.303747
H 5.637320 0.837233 -0.414538


