%chk=000208198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208198

0 1
O 1.294252 1.405659 -0.494633
N 2.833408 -0.054258 0.598296
N 0.379079 -0.480919 0.428676
C 3.133482 -1.472805 0.966626
C 3.897088 0.659043 -0.182576
C 1.517056 0.177660 0.188714
C -0.663550 0.334981 -0.098786
C -0.110068 1.470799 -0.652380
C -2.063098 -0.073682 0.001437
C 3.125241 -2.444768 -0.209502
C 5.072180 0.983124 0.736336
C -0.587975 2.686171 -1.315564
C -2.991344 0.325154 -0.975509
C -2.488710 -0.868204 1.081676
C -4.331194 -0.055422 -0.862009
C -3.828676 -1.244283 1.186089
C -4.753091 -0.836556 0.217749
H 4.123347 -1.474118 1.474570
H 2.376367 -1.786617 1.726584
H 4.234428 0.052423 -1.051438
H 3.472156 1.606505 -0.593154
H 2.134244 -2.484038 -0.686302
H 3.854363 -2.176722 -0.980675
H 3.356379 -3.463600 0.123250
H 4.734630 1.497732 1.647428
H 5.610764 0.083459 1.055365
H 5.790115 1.640077 0.231965
H -1.553694 3.016167 -0.897648
H 0.125538 3.518529 -1.194064
H -0.723276 2.531916 -2.398498
H -2.667859 0.918332 -1.827583
H -1.761913 -1.191450 1.829524
H -5.047320 0.255659 -1.620226
H -4.154582 -1.858291 2.023969
H -5.796868 -1.130259 0.303695


%chk=000208198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208198

0 1
O 1.432601 1.345927 -0.684235
N 2.895474 -0.326142 0.184635
N 0.470000 -0.526522 0.250369
C 3.095367 -1.617551 0.878867
C 4.059405 0.472760 -0.249911
C 1.612471 0.090358 -0.047139
C -0.561757 0.354589 -0.210185
C 0.002176 1.491873 -0.773786
C -1.975314 -0.017048 -0.037448
C 3.090659 -2.824548 -0.083727
C 4.540286 1.479196 0.819573
C -0.473635 2.766436 -1.392241
C -3.040795 0.695833 -0.657186
C -2.295606 -1.141076 0.775551
C -4.381636 0.307546 -0.452519
C -3.636237 -1.527426 0.976265
C -4.688968 -0.803537 0.367233
H 4.056012 -1.559012 1.424592
H 2.288726 -1.735239 1.623843
H 4.872520 -0.233920 -0.502387
H 3.793845 1.011546 -1.176092
H 2.113632 -2.899323 -0.590698
H 3.881007 -2.730158 -0.850765
H 3.264180 -3.762564 0.475669
H 3.748325 2.215489 1.039884
H 4.807706 0.964603 1.760359
H 5.432574 2.025157 0.460610
H -1.319924 3.192092 -0.823826
H 0.342987 3.508175 -1.392253
H -0.804746 2.632366 -2.440641
H -2.827840 1.542176 -1.317189
H -1.471112 -1.694017 1.235661
H -5.187886 0.867873 -0.939978
H -3.862424 -2.394490 1.607568
H -5.731176 -1.104022 0.522930


