%chk=000216140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216140

0 1
O 2.602281 3.732578 -0.271984
N 2.651250 -0.256954 0.567897
N -2.673138 0.849990 -2.135223
C 1.383666 1.658025 -0.370782
C 1.364080 0.505452 0.652041
C 0.101749 2.507532 -0.269032
C 3.799384 0.616327 0.979808
C 2.626483 2.523390 -0.204309
C 3.929313 1.774046 -0.016885
C -1.090906 1.777053 -0.763842
C 2.603914 -1.494851 1.415964
C -2.068301 1.103700 0.062332
C -1.477143 1.610167 -2.088846
C -3.048179 0.530644 -0.817964
C 1.622777 -2.490580 0.842050
C -2.217096 0.930545 1.449341
C -0.843168 2.085144 -3.336677
C -4.150224 -0.200974 -0.336854
C 0.667597 -3.091954 1.674023
C 1.683149 -2.840889 -0.515441
C -3.303304 0.209946 1.920977
C -4.258923 -0.350144 1.036047
C -0.215570 -4.041238 1.150674
C 0.796872 -3.787884 -1.033139
C -0.152292 -4.391761 -0.201154
H 1.441054 1.207768 -1.398593
H 0.525149 -0.185395 0.395322
H 1.153005 0.896028 1.669710
H 0.245563 3.453162 -0.840992
H -0.054087 2.839788 0.778502
H 3.696809 1.016106 2.012373
H 4.730521 0.008477 0.958521
H 4.727277 2.472369 0.306049
H 4.250627 1.384584 -1.007486
H 3.618871 -1.959535 1.404734
H 2.370797 -1.278643 2.482219
H -3.162147 0.581942 -2.965156
H -1.487866 1.361704 2.130444
H -1.559561 2.578425 -4.009391
H -0.373052 1.260265 -3.893263
H -0.050827 2.821652 -3.123546
H -4.879048 -0.626879 -1.016942
H 0.605865 -2.822100 2.725789
H 2.416415 -2.356955 -1.161406
H -3.437118 0.065218 2.990610
H -5.094608 -0.908167 1.455499
H -0.957193 -4.504866 1.798658
H 0.844470 -4.055689 -2.086917
H -0.841389 -5.129368 -0.605961


%chk=000216140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216140

0 1
O 2.646010 3.808923 -0.083970
N 2.615195 -0.233235 0.691977
N -2.723172 0.739751 -2.039944
C 1.420538 1.696508 -0.370721
C 1.353938 0.540984 0.668066
C 0.127554 2.554040 -0.406008
C 3.756367 0.608009 1.110400
C 2.673156 2.548574 -0.120002
C 3.965279 1.761583 0.096780
C -1.111315 1.783509 -0.798247
C 2.503952 -1.496691 1.462081
C -2.109699 1.226320 0.101385
C -1.518539 1.469760 -2.101514
C -3.110023 0.576170 -0.706077
C 1.622325 -2.535813 0.774890
C -2.262671 1.220325 1.513530
C -0.880116 1.789012 -3.423762
C -4.234728 -0.067808 -0.147608
C 0.714786 -3.324030 1.523057
C 1.736267 -2.760054 -0.620713
C -3.383938 0.581004 2.078776
C -4.359553 -0.057808 1.257559
C -0.059813 -4.325942 0.893420
C 0.963288 -3.757927 -1.252852
C 0.063619 -4.547325 -0.496961
H 1.565896 1.206839 -1.358202
H 0.523433 -0.132737 0.399329
H 1.121655 0.972558 1.677189
H 0.303047 3.399900 -1.096347
H -0.015341 3.017745 0.588458
H 3.603477 1.043705 2.131489
H 4.667308 -0.017135 1.151825
H 4.757539 2.452794 0.432149
H 4.268663 1.317106 -0.871817
H 3.530507 -1.903816 1.562468
H 2.128420 -1.324894 2.502306
H -3.231624 0.391648 -2.849972
H -1.522319 1.710881 2.156354
H -1.604474 2.231877 -4.134411
H -0.449006 0.889729 -3.906628
H -0.062560 2.515996 -3.287730
H -4.987785 -0.558585 -0.774925
H 0.607155 -3.149205 2.601074
H 2.425438 -2.131870 -1.196287
H -3.514170 0.572741 3.166866
H -5.220824 -0.547234 1.726181
H -0.762498 -4.924445 1.484229
H 1.060942 -3.922745 -2.332328
H -0.537785 -5.321493 -0.987012


