%chk=000251422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251422

0 1
O 0.467317 -3.734818 -0.008440
O -0.681404 -2.758575 1.671901
N -1.911100 1.840453 1.045728
N 1.856133 -0.814039 -0.334540
C 0.079709 0.665566 0.321859
C 0.417436 -0.530711 -0.673409
C -1.212124 1.362589 -0.182787
C -1.995425 0.336338 -1.081318
C -0.566964 -1.718187 -0.576156
C -1.979333 -1.095793 -0.469232
C 0.255249 -0.002210 -2.139880
C -1.227051 0.286546 -2.427626
C -0.204042 0.312389 1.806885
C -3.445114 0.807463 -1.288517
C 1.399107 1.408755 0.282605
C -1.596142 0.872030 2.146930
C -3.357036 2.126461 0.858431
C 2.431907 0.480892 -0.080101
C -4.139288 1.077592 0.050651
C -0.296273 -2.712045 0.528223
C 2.599868 -1.749087 -1.207465
C 1.711549 2.708669 0.616437
C 3.765479 0.868145 -0.096647
C 3.065705 3.106817 0.588393
C 4.065789 2.200257 0.249735
C 0.888793 -4.786950 0.898477
H -0.979584 2.272419 -0.786543
H -0.501244 -2.300697 -1.538559
H -2.711113 -1.739790 -0.985748
H -2.301729 -1.053434 0.591618
H 0.656616 -0.734633 -2.859740
H 0.859606 0.914335 -2.275515
H -1.333657 1.238875 -2.976159
H -1.658646 -0.487707 -3.085312
H 0.563308 0.766913 2.461905
H -0.140790 -0.768398 2.010333
H -4.014906 0.058643 -1.868799
H -3.453456 1.730332 -1.901481
H -2.338017 0.053600 2.247184
H -1.590768 1.436082 3.100834
H -3.411768 3.112157 0.340294
H -3.824699 2.272452 1.855077
H -5.172438 1.431647 -0.121819
H -4.234923 0.140141 0.630162
H 2.043239 -2.705225 -1.259484
H 3.576408 -1.969069 -0.742610
H 2.777956 -1.379534 -2.228028
H 0.930068 3.412478 0.902154
H 4.557574 0.176255 -0.358543
H 3.322096 4.131919 0.842764
H 5.107245 2.520137 0.245688
H 1.738034 -4.416950 1.481607
H 1.176544 -5.596784 0.221703
H 0.063400 -5.077512 1.558080


%chk=000251422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251422

0 1
O 0.533056 -3.801015 0.008422
O -0.834508 -2.853380 1.621550
N -1.910593 1.765589 1.061056
N 1.889643 -0.760097 -0.418077
C 0.090758 0.655933 0.306060
C 0.434703 -0.526743 -0.687125
C -1.224456 1.335076 -0.175595
C -2.024659 0.323423 -1.090209
C -0.548940 -1.741182 -0.598843
C -1.987143 -1.125780 -0.507500
C 0.239698 0.012377 -2.153924
C -1.266533 0.282109 -2.443955
C -0.183468 0.295438 1.826189
C -3.480097 0.827812 -1.258188
C 1.407284 1.428933 0.246329
C -1.601897 0.821909 2.162963
C -3.316129 2.179240 0.880031
C 2.439968 0.511009 -0.108731
C -4.163475 1.138722 0.096268
C -0.316751 -2.792827 0.482388
C 2.670198 -1.717630 -1.211504
C 1.715405 2.748140 0.598878
C 3.791683 0.916655 -0.134841
C 3.073593 3.171366 0.574389
C 4.092796 2.258270 0.216613
C 0.836427 -4.889516 0.969780
H -1.021321 2.232878 -0.798036
H -0.438417 -2.294736 -1.550989
H -2.692130 -1.761946 -1.077713
H -2.316364 -1.144532 0.543922
H 0.654071 -0.727613 -2.864251
H 0.832938 0.938067 -2.260740
H -1.390930 1.242347 -2.980746
H -1.701264 -0.505568 -3.091039
H 0.569744 0.811798 2.442391
H -0.100449 -0.779051 2.033026
H -4.071741 0.089239 -1.836189
H -3.461887 1.760389 -1.862325
H -2.324905 -0.023404 2.245050
H -1.621824 1.356499 3.132111
H -3.330477 3.137841 0.319266
H -3.754483 2.378495 1.875359
H -5.182016 1.538948 -0.074098
H -4.277978 0.214213 0.695088
H 2.086045 -2.639618 -1.352409
H 3.587989 -1.989290 -0.658731
H 2.976047 -1.317573 -2.204108
H 0.916649 3.440413 0.890736
H 4.592621 0.227485 -0.422314
H 3.331051 4.204008 0.833916
H 5.137222 2.591933 0.201697
H 1.356937 -4.482123 1.852437
H 1.481192 -5.584363 0.413561
H -0.095782 -5.381369 1.293903


