%chk=000206603.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206603

0 1
O -2.916854 0.634281 -0.811211
O 2.824696 -0.605336 -0.922394
O -2.221984 -1.197457 -1.946491
O 2.081936 1.226208 -2.027304
N -3.241263 0.044848 2.063032
N 3.493274 -0.321012 1.930364
N -5.501667 -0.400789 2.453111
N 5.814805 0.373849 2.025370
C -0.624231 0.537308 -1.265607
C 0.510040 -0.483566 -1.234687
C -4.301091 0.165550 -0.846416
C 4.212782 -0.157074 -1.054478
C -1.951535 -0.152343 -1.408939
C 1.834793 0.188724 -1.464615
C -4.519209 -0.929831 0.188218
C 4.541586 0.863494 0.024079
C -4.512685 -0.406701 1.615075
C 4.687547 0.254607 1.402724
H -0.607768 1.186739 -0.362148
H -0.490126 1.247562 -2.121012
H 0.358203 -1.263731 -2.023502
H 0.514628 -1.052692 -0.278774
H -4.847786 1.100650 -0.621571
H -4.526973 -0.185494 -1.870242
H 4.355625 0.257668 -2.069734
H 4.759156 -1.111929 -0.941831
H -3.736065 -1.717657 0.076139
H -5.470928 -1.458806 -0.026643
H 3.770786 1.667291 0.050754
H 5.489334 1.393414 -0.242326
H -2.701952 0.562193 1.375649
H -3.247389 0.505273 2.970136
H 2.796546 -0.625834 1.258877
H 3.589700 -0.968109 2.699377
H -6.381667 -0.831359 2.196241
H 5.926234 -0.000038 2.961278


%chk=000206603-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206603

0 1
O -3.070373 0.381263 -0.792907
O 2.985525 -0.310450 -0.832331
O -1.989258 -1.546745 -1.544564
O 1.872407 1.511758 -1.782250
N -4.462853 1.090262 1.626762
N 4.499805 -1.119235 1.476090
N -6.246416 -0.241995 2.327258
N 6.541519 0.161648 1.804394
C -0.676200 0.460660 -0.938464
C 0.589643 -0.413711 -0.911332
C -4.399922 -0.295371 -0.972293
C 4.318248 0.336162 -1.108017
C -1.932514 -0.369977 -1.124477
C 1.837814 0.393291 -1.224288
C -4.857340 -0.975833 0.329815
C 4.903150 0.940334 0.177020
C -5.256465 -0.036990 1.481737
C 5.380371 -0.064245 1.225733
H -0.772704 1.074811 -0.026354
H -0.607726 1.180755 -1.777563
H 0.497477 -1.217866 -1.667507
H 0.715311 -0.926427 0.057962
H -5.074689 0.520538 -1.275034
H -4.295534 -1.038473 -1.781068
H 4.163803 1.115511 -1.872857
H 4.941147 -0.480939 -1.505164
H -4.060670 -1.664931 0.671332
H -5.732639 -1.605866 0.084257
H 4.158395 1.626118 0.625418
H 5.783514 1.550203 -0.086591
H -3.697292 1.281763 0.983138
H -4.690167 1.735018 2.381412
H 3.649509 -1.216148 0.918706
H 4.735370 -1.839472 2.156238
H -6.772647 -1.109735 2.114443
H 6.782898 -0.545786 2.531847


