%chk=000251786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251786

0 1
O -2.723489 -0.649874 -1.427858
O 2.700412 -0.552545 -1.424291
N -9.538147 2.086699 0.612956
N 9.889016 1.000159 0.748748
N -9.734785 0.535976 -1.121314
N 9.264030 2.102219 -1.212484
N -3.524909 -0.456951 0.720717
N 3.505907 -0.363610 0.723377
N -0.017721 -0.072380 -1.427889
C -10.925719 2.288289 0.071598
C 11.172608 1.543548 0.186398
C -8.933732 1.066422 -0.233223
C 8.858695 1.353901 -0.218790
C -11.053583 1.218029 -1.053884
C 10.731133 2.309693 -1.096802
C -7.535316 0.678119 0.003919
C 7.476263 0.910712 0.015523
C -4.873046 -0.075208 0.431009
C 4.837373 0.073691 0.435259
C -6.731272 0.274354 -1.075778
C 6.641520 0.622894 -1.077891
C -7.002251 0.686865 1.303837
C 6.974984 0.795070 1.323002
C -1.234002 -1.218079 0.350453
C 1.233266 -1.179904 0.351738
C -0.005909 -0.819294 -0.279156
C -5.403707 -0.095147 -0.870245
C -5.678577 0.316065 1.523905
C 5.329534 0.200009 -0.875040
C 5.665048 0.376888 1.539834
C -2.527901 -0.773725 -0.228071
C 2.512725 -0.693768 -0.224978
C -1.194135 -2.074277 1.452788
C 1.217438 -2.037271 1.454243
C 0.018313 -2.496485 2.000956
H -11.095746 3.313154 -0.299998
H -11.642309 2.099839 0.896402
H 11.914189 0.755131 -0.027445
H 11.609570 2.229310 0.940161
H -11.838014 0.468867 -0.824623
H -11.293765 1.655981 -2.041958
H 11.229770 1.940915 -2.013930
H 10.938849 3.396153 -1.021481
H -8.998157 2.943186 0.719943
H 9.925513 0.016594 1.009156
H -7.155218 0.243903 -2.084048
H 7.024654 0.739885 -2.096152
H -7.632906 0.977783 2.147571
H 7.614108 1.044242 2.173721
H -4.782093 -0.399643 -1.720170
H -5.279811 0.328726 2.535011
H 4.687185 -0.023040 -1.735036
H 5.290419 0.295770 2.556960
H -3.269868 -0.457327 1.711697
H 3.257972 -0.393936 1.715804
H -2.127844 -2.438970 1.891567
H 2.160985 -2.373483 1.894330
H 0.028121 -3.183756 2.843095
H -0.884786 0.053506 -1.953324
H 0.845617 0.083924 -1.951717


%chk=000251786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251786

0 1
O -2.665259 -0.103998 -1.466884
O 2.652951 -0.027190 -1.454255
N -10.040701 1.306198 0.745554
N 10.127763 0.909702 0.737578
N -9.771425 0.725108 -1.472303
N 9.617373 1.519164 -1.429039
N -3.630210 -0.231902 0.660170
N 3.621547 -0.161173 0.670182
N -0.006423 0.060548 -1.539611
C -11.361706 1.660876 0.170056
C 11.473020 1.144584 0.158142
C -9.190735 0.875346 -0.292367
C 9.159635 1.060820 -0.274557
C -11.216942 1.083164 -1.288186
C 11.091716 1.734112 -1.252022
C -7.761981 0.587370 -0.042426
C 7.734896 0.752560 -0.025527
C -4.992979 0.044775 0.366511
C 4.977098 0.151254 0.378946
C -6.873920 0.448500 -1.140901
C 6.839716 0.651104 -1.122357
C -7.242724 0.440319 1.270839
C 7.224093 0.558734 1.284962
C -1.249058 -0.747290 0.413701
C 1.249004 -0.717698 0.418595
C -0.001980 -0.458361 -0.278372
C -5.505728 0.185280 -0.954061
C -5.877380 0.171676 1.472926
C 5.477847 0.355574 -0.937906
C 5.864455 0.261146 1.484866
C -2.547324 -0.352507 -0.214902
C 2.539742 -0.290978 -0.204816
C -1.208412 -1.426449 1.655468
C 1.218142 -1.398040 1.660350
C 0.007979 -1.775633 2.275278
H -11.516822 2.759123 0.166007
H -12.189716 1.191614 0.729892
H 12.044537 0.198086 0.069913
H 12.061207 1.853648 0.766924
H -11.826549 0.168823 -1.418144
H -11.528493 1.804736 -2.063598
H 11.644720 1.251908 -2.077079
H 11.298916 2.820046 -1.300998
H -9.688464 1.763242 1.585782
H 9.993766 0.292886 1.537683
H -7.285979 0.553095 -2.149435
H 7.240561 0.816226 -2.127319
H -7.906661 0.497803 2.140686
H 7.875396 0.672412 2.158781
H -4.826814 0.096732 -1.802630
H -5.494307 0.050819 2.494802
H 4.794494 0.288232 -1.784839
H 5.485030 0.119739 2.505479
H -3.411716 -0.303157 1.655736
H 3.407832 -0.255183 1.664814
H -2.142367 -1.749559 2.131665
H 2.156679 -1.699767 2.141525
H 0.012795 -2.344795 3.208894
H -0.919472 0.163649 -2.002564
H 0.905839 0.190745 -1.997507


