%chk=000206918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206918

0 1
O -0.721990 -0.306537 -1.269463
O -2.892805 -0.917393 -1.612338
N 0.891972 -2.651347 0.715703
N 2.826899 1.047289 -0.239205
C 0.747365 -0.136223 0.589689
C -0.778029 -0.284141 0.213811
C 1.491064 -1.411633 0.116689
C -1.345399 -1.614445 0.716604
C -0.525251 -2.830846 0.233364
C 1.331694 1.109263 -0.146565
C 0.875737 0.026611 2.108738
C -1.620351 0.913661 0.626500
C -1.140525 -4.115672 0.803495
C 1.751270 -3.825566 0.374710
C -1.749781 2.017757 -0.230287
C -2.265713 0.940096 1.872061
C 3.313483 1.634187 -1.533365
C 3.479375 1.711482 0.938058
C -1.807116 -0.623119 -2.048103
C -2.509157 3.126622 0.150926
C -3.023629 2.050856 2.253375
C 3.014219 0.674048 -2.686596
C 4.951842 1.308478 1.029304
C -3.147376 3.147003 1.394797
C -1.385534 -0.534903 -3.479002
H 2.553180 -1.343105 0.445862
H 1.504977 -1.429978 -0.994743
H -1.368061 -1.609228 1.826053
H -2.402109 -1.722523 0.387986
H -0.573199 -2.873361 -0.887133
H 0.967538 2.031815 0.351619
H 0.906326 1.126473 -1.178581
H 0.277428 0.853953 2.498630
H 1.926151 0.218343 2.383782
H 0.583469 -0.895748 2.630286
H -2.222987 -4.142316 0.635068
H -0.969895 -4.193342 1.884697
H -0.717618 -5.011375 0.338026
H 1.755638 -4.100248 -0.689842
H 2.788750 -3.617874 0.682506
H 1.416078 -4.695545 0.961282
H -1.260199 2.006598 -1.204189
H -2.182644 0.090865 2.551016
H 4.415272 1.778211 -1.458139
H 2.878183 2.634630 -1.743656
H 2.952597 1.355891 1.860184
H 3.383549 2.817761 0.919534
H -2.606226 3.974862 -0.524171
H -3.522273 2.058527 3.221137
H 1.935785 0.529219 -2.824874
H 3.444186 -0.316804 -2.487943
H 3.433280 1.044440 -3.626605
H 5.396636 1.656774 1.966695
H 5.542975 1.718721 0.202523
H 5.060371 0.216019 0.988574
H -3.740382 4.009598 1.691199
H -0.312112 -0.320494 -3.590693
H -1.946388 0.257068 -3.998307
H -1.599338 -1.479254 -4.002780


%chk=000206918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206918

0 1
O -0.888121 -0.329348 -1.369103
O -3.204105 -0.728389 -1.458412
N 0.887165 -2.744800 0.462516
N 2.856118 1.183471 -0.198538
C 0.778693 -0.211206 0.398227
C -0.790399 -0.305684 0.154195
C 1.425904 -1.509171 -0.159551
C -1.316615 -1.653380 0.707003
C -0.568245 -2.892744 0.166256
C 1.383207 1.017773 -0.365800
C 1.085929 -0.105832 1.912363
C -1.582241 0.909374 0.670665
C -1.166419 -4.162787 0.802963
C 1.698500 -3.917231 0.072501
C -1.754022 2.064250 -0.137485
C -2.134050 0.924847 1.977716
C 3.576040 1.398518 -1.485423
C 3.225922 2.221413 0.808305
C -2.103802 -0.544198 -2.022817
C -2.454160 3.191810 0.340000
C -2.831307 2.054080 2.461120
C 3.678646 0.139333 -2.364656
C 4.583713 1.946631 1.483331
C -2.995976 3.195258 1.645517
C -1.878547 -0.512291 -3.523338
H 2.509480 -1.447016 0.045549
H 1.293407 -1.531071 -1.270760
H -1.195453 -1.656587 1.804224
H -2.392588 -1.736413 0.484249
H -0.724652 -2.951947 -0.944818
H 0.854788 1.936414 -0.031843
H 1.154464 0.891322 -1.439260
H 0.596836 0.769116 2.375933
H 2.177930 -0.009329 2.039247
H 0.777893 -1.021708 2.442332
H -2.264859 -4.159648 0.683615
H -0.932122 -4.195709 1.883229
H -0.785420 -5.086761 0.334935
H 1.628020 -4.159479 -1.019464
H 2.758513 -3.713537 0.306106
H 1.394850 -4.810603 0.642623
H -1.349837 2.073563 -1.154973
H -2.030313 0.051968 2.629349
H 4.600482 1.733607 -1.238821
H 3.107639 2.228150 -2.075553
H 2.441645 2.239882 1.583978
H 3.234507 3.241714 0.347189
H -2.579337 4.066367 -0.308553
H -3.250687 2.037247 3.473446
H 2.683600 -0.231007 -2.669429
H 4.190422 -0.670788 -1.816046
H 4.252627 0.362069 -3.283787
H 4.809055 2.727971 2.233497
H 5.413387 1.934042 0.753407
H 4.565664 0.965231 1.989658
H -3.541856 4.069276 2.017762
H -1.057517 -1.194054 -3.803714
H -1.587153 0.504788 -3.841390
H -2.804039 -0.802665 -4.041571


