%chk=000213313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213313

0 1
O -3.663811 2.145534 -0.292783
N 0.278713 0.731879 0.143868
N 3.122756 0.233393 -0.114886
C 0.819463 -0.133546 -0.954851
C 1.286085 1.788942 0.486591
C 2.118227 -0.814316 -0.478033
C 2.588034 1.117193 0.967671
C -1.033069 1.345109 -0.241174
C 4.486783 -0.165063 -0.025984
C -2.150121 0.334146 0.067161
C -3.518222 0.962686 -0.060238
C 4.956343 -1.288554 -0.747133
C 5.421940 0.625800 0.683198
C -4.701433 0.056888 0.090194
C 6.315228 -1.596051 -0.758607
C 6.776390 0.300547 0.658479
C 7.234408 -0.810503 -0.056457
C -4.628950 -1.173698 0.757673
C -5.925132 0.481926 -0.452282
C -5.767816 -1.975339 0.871690
C -7.061085 -0.323583 -0.342044
C -6.982363 -1.553085 0.319532
H 1.015839 0.431535 -1.893027
H 0.065257 -0.913880 -1.190891
H 0.874176 2.410658 1.311002
H 1.507281 2.468777 -0.365500
H 1.901609 -1.485747 0.382922
H 2.522364 -1.445869 -1.301634
H 3.337375 1.906035 1.206376
H 2.396254 0.544375 1.902758
H -1.085067 1.659708 -1.305475
H -1.209810 2.269012 0.356983
H -2.070540 -0.550165 -0.595960
H -2.005623 -0.062103 1.097520
H 4.262367 -1.909298 -1.309670
H 5.091596 1.501085 1.238563
H 6.663397 -2.461683 -1.321939
H 7.485987 0.921088 1.205629
H 8.290817 -1.058810 -0.067845
H -3.690949 -1.511080 1.198255
H -5.977938 1.452089 -0.955126
H -5.710116 -2.929682 1.392704
H -8.006891 0.008876 -0.767367
H -7.867954 -2.181927 0.408034


%chk=000213313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213313

0 1
O -3.693380 2.182194 -0.271431
N 0.299542 0.768416 0.210598
N 3.139832 0.201104 -0.016324
C 0.824302 -0.108830 -0.862564
C 1.312346 1.804855 0.530790
C 2.135227 -0.794476 -0.435349
C 2.617540 1.144001 1.000779
C -1.025715 1.356160 -0.109471
C 4.513823 -0.152751 -0.011314
C -2.152907 0.315743 0.012265
C -3.547835 0.935798 -0.092468
C 4.950685 -1.472808 -0.340781
C 5.519687 0.819124 0.285411
C -4.748624 0.036539 0.027404
C 6.324614 -1.793266 -0.384502
C 6.886722 0.483950 0.248354
C 7.308641 -0.824290 -0.089679
C -4.637475 -1.359224 0.271840
C -6.041003 0.614577 -0.104271
C -5.795406 -2.158417 0.383054
C -7.196343 -0.183497 0.005262
C -7.076421 -1.573447 0.249963
H 1.009846 0.473347 -1.801844
H 0.081432 -0.894102 -1.092203
H 0.920454 2.445120 1.342487
H 1.530116 2.457088 -0.353121
H 1.917156 -1.519951 0.383304
H 2.523122 -1.356953 -1.302011
H 3.362434 1.927661 1.206076
H 2.418278 0.603834 1.954776
H -1.048723 1.822300 -1.124570
H -1.224988 2.171429 0.608650
H -2.060608 -0.471853 -0.762521
H -2.049651 -0.202712 0.986686
H 4.223163 -2.264435 -0.541479
H 5.237892 1.851167 0.517009
H 6.623423 -2.817258 -0.638735
H 7.630240 1.257586 0.474078
H 8.373146 -1.078627 -0.119863
H -3.652886 -1.825962 0.381055
H -6.105654 1.691849 -0.290749
H -5.701921 -3.233002 0.574377
H -8.187871 0.270677 -0.097932
H -7.974454 -2.195355 0.336862


