%chk=000268079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268079

0 1
O -5.800553 -0.726384 -1.484989
O 5.868545 0.844798 -1.470102
N -1.730945 -0.691266 0.908562
N 1.728866 0.760774 0.569046
N -5.483008 -0.920877 0.759921
N 5.493232 0.891696 0.771467
N -7.589722 1.326776 -2.023869
N 7.620344 -1.198144 -2.128865
C -0.696995 0.369003 0.705565
C 0.690715 -0.304861 0.724392
C -3.117196 -0.144989 0.812916
C 3.110170 0.192112 0.615730
C -4.072495 -1.341842 0.605336
C 4.104832 1.373814 0.598896
C -6.270105 -0.619780 -0.354401
C 6.303679 0.640233 -0.337935
C -7.661404 -0.175781 -0.084545
C 7.670156 0.129431 -0.065340
C -8.284919 0.756258 -0.958343
C 8.294702 -0.744789 -0.996567
C -8.400189 -0.694729 0.993393
C 8.387600 0.528583 1.076701
C -9.620103 1.175990 -0.696589
C 9.607061 -1.229611 -0.730357
C -9.704661 -0.286053 1.237709
C 9.669654 0.057367 1.325303
C -10.307308 0.660848 0.388543
C 10.272048 -0.832758 0.416269
H -0.874244 0.848138 -0.282993
H -0.735597 1.180521 1.464996
H 0.856312 -0.816238 1.697719
H 0.738056 -1.092324 -0.060168
H -3.416495 0.454771 1.697503
H -3.192868 0.533406 -0.067227
H 3.225389 -0.391684 1.554446
H 3.334637 -0.503915 -0.222130
H -1.599154 -1.129676 1.827051
H 1.591835 1.242689 -0.328700
H -3.917615 -1.766424 -0.418759
H -3.860014 -2.159109 1.327327
H 4.027910 1.930068 -0.367002
H 3.865586 2.094195 1.412820
H -5.799104 -0.716434 1.700196
H 5.765904 0.607163 1.704550
H -7.946106 -1.445683 1.643012
H 7.934746 1.235358 1.775059
H -10.093356 1.902415 -1.351497
H 10.079936 -1.912625 -1.430697
H -10.263815 -0.696059 2.073487
H 10.212119 0.374916 2.210904
H -11.330606 0.983461 0.587631
H 11.277665 -1.205089 0.618835
H -6.747305 0.853006 -2.358706
H -8.116404 1.791316 -2.745824
H 6.802314 -0.673057 -2.446878
H 8.155467 -1.620625 -2.869998


%chk=000268079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268079

0 1
O -5.465606 -0.561044 -1.293287
O 5.580684 0.709648 -1.413304
N -1.791405 -0.674980 1.288143
N 1.740256 0.631050 0.901622
N -5.568977 -0.865641 0.993409
N 5.526064 0.792642 0.894656
N -7.445747 0.656064 -2.534748
N 7.621007 -0.449555 -2.617853
C -0.713180 0.320623 1.106717
C 0.664941 -0.368408 1.088425
C -3.164909 -0.150403 1.166876
C 3.113399 0.088291 0.948911
C -4.171668 -1.321075 1.057084
C 4.130454 1.253777 0.908502
C -6.161920 -0.512928 -0.209276
C 6.198649 0.547954 -0.292847
C -7.590359 -0.080843 -0.188645
C 7.617815 0.093386 -0.215233
C -8.171479 0.519158 -1.369693
C 8.269178 -0.419376 -1.400516
C -8.413052 -0.241969 0.963003
C 8.363102 0.147335 0.997364
C -9.527197 0.978884 -1.308976
C 9.611995 -0.906393 -1.288443
C -9.746422 0.198609 1.002400
C 9.685681 -0.317588 1.088115
C -10.296081 0.824966 -0.148287
C 10.303179 -0.859614 -0.070970
H -0.882953 0.822865 0.132530
H -0.699929 1.120614 1.885492
H 0.838453 -0.873107 2.061684
H 0.651805 -1.165419 0.307629
H -3.465585 0.522118 2.010109
H -3.231414 0.444125 0.237679
H 3.228368 -0.474295 1.896857
H 3.348516 -0.616221 0.115989
H -1.663451 -1.211178 2.158527
H 1.591495 1.173841 0.037943
H -3.945558 -1.888279 0.139937
H -4.064547 -2.001500 1.924676
H 3.972111 1.841517 -0.013331
H 3.965277 1.914882 1.777910
H -6.071086 -0.708061 1.865714
H 5.966840 0.552435 1.781375
H -8.017720 -0.754329 1.849007
H 7.915128 0.594472 1.893583
H -9.962561 1.448455 -2.199756
H 10.100346 -1.310356 -2.183886
H -10.353677 0.052940 1.900938
H 10.233552 -0.254392 2.033190
H -11.332798 1.180614 -0.135691
H 11.332285 -1.233338 -0.019144
H -6.498374 0.248473 -2.542786
H -7.862406 1.093698 -3.352259
H 6.682115 -0.024961 -2.655507
H 8.084563 -0.829884 -3.438758


