%chk=000268379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268379

0 1
O -10.148221 -1.252827 -0.660055
O 10.148372 1.246067 0.657887
N -1.415093 0.113948 0.216959
N 1.415342 -0.114696 -0.228841
N -2.750024 0.350967 0.069488
N 2.750290 -0.351736 -0.081581
N -9.199692 0.708619 0.102103
N 9.199613 -0.710898 -0.115515
C -0.816040 -1.187020 -0.244779
C -0.623235 1.286630 -0.299263
C 0.623489 -1.287297 0.287602
C 0.816377 1.186305 0.232905
C -3.640321 -0.603965 0.013726
C 3.640619 0.603162 -0.026042
C -5.071252 -0.251060 0.038131
C 5.071493 0.249982 -0.050644
C -5.519406 1.012819 0.461556
C 5.519632 -1.011537 -0.481020
C -6.015594 -1.210651 -0.369615
C 6.015658 1.206804 0.363904
C -7.815755 0.344409 0.065058
C 7.815768 -0.346325 -0.077936
C -6.878751 1.315553 0.478098
C 6.878897 -1.314655 -0.497816
C -7.378226 -0.922289 -0.360057
C 7.378197 0.917998 0.354208
C -10.289762 -0.114282 -0.264116
C 10.289716 0.109542 0.256111
C -11.627483 0.557563 -0.114671
C 11.627264 -0.562104 0.104272
H -1.412181 -2.031842 0.163440
H -0.825086 -1.276851 -1.353751
H -0.622783 1.327541 -1.411203
H -1.096512 2.226428 0.066476
H 1.096817 -2.227186 -0.077796
H 0.622926 -1.327907 1.399551
H 0.825602 1.276215 1.341869
H 1.412477 2.031100 -0.175448
H -3.428961 -1.679876 -0.051217
H 3.429450 1.679099 0.038948
H -4.791695 1.763333 0.779651
H 4.791990 -1.759892 -0.804281
H -5.685677 -2.195092 -0.702209
H 5.685655 2.189326 0.702025
H -7.203669 2.298251 0.809708
H 7.203843 -2.295485 -0.834878
H -8.101899 -1.679473 -0.682155
H 8.101756 1.673002 0.681638
H -9.394462 1.657419 0.427113
H 9.394307 -1.657977 -0.445546
H -11.727346 1.445626 -0.752293
H -12.428020 -0.140839 -0.414603
H -11.838058 0.853940 0.921153
H 11.840487 -0.848104 -0.933962
H 12.427521 0.132582 0.413440
H 11.724648 -1.456664 0.733073


%chk=000268379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268379

0 1
O -10.346229 -1.375503 -0.468992
O 10.346120 1.373613 0.458391
N -1.414789 0.123023 0.097050
N 1.414889 -0.125253 -0.109081
N -2.769955 0.402793 0.069861
N 2.770058 -0.405014 -0.081811
N -9.292858 0.656394 0.063227
N 9.293013 -0.658231 -0.074538
C -0.836577 -1.141568 -0.415471
C -0.586879 1.319723 -0.150270
C 0.586975 -1.321960 0.138208
C 0.836666 1.139340 0.403421
C -3.672887 -0.536475 -0.160825
C 3.672943 0.534262 0.149025
C -5.105781 -0.222506 -0.099041
C 5.105856 0.220373 0.087340
C -5.588540 1.078945 0.225230
C 5.588735 -1.081002 -0.237058
C -6.063049 -1.238615 -0.370164
C 6.063030 1.236504 0.358716
C -7.912873 0.311488 -0.004752
C 7.912994 -0.313429 -0.006696
C -6.965356 1.339827 0.270494
C 6.965575 -1.341789 -0.282200
C -7.449013 -0.991179 -0.327945
C 7.449012 0.989162 0.316631
C -10.413279 -0.150385 -0.158216
C 10.413335 0.148628 0.147123
C -11.742845 0.588343 0.011198
C 11.743023 -0.589582 -0.023571
H -1.448292 -1.993336 -0.070061
H -0.827871 -1.145692 -1.529222
H -0.525908 1.529336 -1.241898
H -1.086841 2.172418 0.336562
H 1.086937 -2.174643 -0.348645
H 0.526007 -1.531600 1.229831
H 0.827951 1.143480 1.517173
H 1.448383 1.991105 0.058005
H -3.418516 -1.584137 -0.400067
H 3.418512 1.581892 0.388347
H -4.861764 1.868444 0.439235
H 4.862036 -1.870519 -0.451258
H -5.716030 -2.249386 -0.620328
H 5.715916 2.247214 0.608992
H -7.317410 2.349554 0.522596
H 7.317724 -2.351458 -0.534400
H -8.173107 -1.779895 -0.537655
H 8.173030 1.777883 0.526584
H -9.484579 1.631104 0.308508
H 9.484842 -1.632859 -0.320062
H -11.829104 1.431899 -0.698964
H -12.561990 -0.119117 -0.181141
H -11.853921 0.988946 1.036151
H 11.856924 -0.981963 -1.051399
H 12.561938 0.115966 0.176617
H 11.826818 -1.438862 0.680017


