%chk=000250674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250674

0 1
O -4.194108 -1.667071 1.357015
O 4.120733 -1.563902 -1.222650
N -1.796571 -0.111553 0.555414
N 1.783415 0.093464 -0.599645
C -0.662612 -0.135223 -0.419154
C 0.647484 0.057106 0.372266
C -3.115681 -0.210070 -0.140435
C 3.101601 0.234113 0.087141
C -4.225708 -0.287130 0.926536
C 4.205489 -0.157900 -0.925060
C -5.577553 0.057745 0.340104
C 5.579423 0.077785 -0.336346
C -6.071511 1.364719 0.449357
C 6.102330 1.379153 -0.306846
C -6.331459 -0.921611 -0.320064
C 6.327850 -0.988826 0.177396
C -7.316991 1.686567 -0.097378
C 7.366293 1.608199 0.242874
C -7.577472 -0.596808 -0.862612
C 7.593229 -0.754657 0.722900
C -8.071417 0.707120 -0.751914
C 8.112583 0.543073 0.758937
H -0.609279 -1.069995 -1.019607
H -0.801320 0.698536 -1.141789
H 0.576555 0.968742 1.005846
H 0.804303 -0.799566 1.064610
H -3.257026 0.699653 -0.764800
H -3.200748 -1.091816 -0.814748
H 3.291188 1.248432 0.494436
H 3.149889 -0.466103 0.952083
H -3.988227 0.347282 1.813151
H 4.085795 0.382815 -1.893274
H -1.708830 -0.905494 1.207054
H 1.653835 0.876302 -1.251773
H -5.487358 2.131485 0.956433
H 5.531292 2.210717 -0.713455
H -5.936304 -1.935598 -0.404674
H 5.914916 -2.000048 0.132891
H -4.892330 -1.833384 2.020084
H 3.174635 -1.812132 -1.357501
H -7.700319 2.702157 -0.012670
H 7.772200 2.617713 0.266723
H -8.162665 -1.359609 -1.373738
H 8.174565 -1.585761 1.118363
H -9.041831 0.959943 -1.175440
H 9.097214 0.724537 1.184857


%chk=000250674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250674

0 1
O -3.820997 -1.184189 1.705709
O 3.686633 -1.029767 -1.553258
N -1.759868 0.289905 0.502054
N 1.834925 0.674193 -0.615087
C -0.623849 0.342041 -0.436960
C 0.685140 0.633862 0.322004
C -3.080193 0.142505 -0.135852
C 3.183051 0.781471 -0.003723
C -4.170723 0.040797 0.944782
C 4.221945 0.221091 -1.027991
C -5.573854 -0.033739 0.358326
C 5.580039 -0.002291 -0.380220
C -6.418898 1.103250 0.374687
C 6.437658 1.099640 -0.134479
C -6.043695 -1.235746 -0.231466
C 5.987899 -1.298149 0.017850
C -7.709884 1.047262 -0.198323
C 7.678531 0.912857 0.515162
C -7.334647 -1.294287 -0.800697
C 7.231208 -1.486255 0.663108
C -8.170774 -0.152471 -0.788094
C 8.078549 -0.382724 0.918738
H -0.490077 -0.593281 -1.034026
H -0.816714 1.159140 -1.163493
H 0.557589 1.575117 0.901994
H 0.877098 -0.176156 1.052943
H -3.284537 1.029271 -0.766271
H -3.160273 -0.758808 -0.793482
H 3.463121 1.811024 0.309373
H 3.197471 0.138791 0.895720
H -4.080909 0.926577 1.608974
H 4.331372 0.962259 -1.854785
H -1.640844 -0.440705 1.218846
H 1.693990 1.386077 -1.347415
H -6.066271 2.033732 0.837795
H 6.142484 2.105596 -0.461237
H -5.395616 -2.119263 -0.227936
H 5.327842 -2.140985 -0.207548
H -4.503963 -1.332763 2.407052
H 2.688547 -0.884874 -1.507488
H -8.355658 1.932385 -0.179240
H 8.334268 1.771798 0.698710
H -7.690455 -2.226863 -1.253319
H 7.542599 -2.494369 0.960749
H -9.172954 -0.198943 -1.228855
H 9.043194 -0.530909 1.417563


