%chk=000252544.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252544

0 1
O -4.890477 -1.557488 1.477865
O 0.921632 -3.811426 0.239786
N -0.611759 0.968684 -1.097093
N 3.275332 1.175587 0.719279
C -0.572318 0.799803 -2.583046
C -0.884560 -0.633682 -3.029022
C -2.273492 -1.044722 -2.530055
C -1.656313 0.242111 -0.415858
C -2.502134 -0.675452 -1.090495
C 0.701807 0.958646 -0.477295
C 1.358901 -0.202605 0.007192
C 1.334541 2.217995 -0.360782
C -1.888738 0.551871 0.935917
C -3.577262 -1.243894 -0.407373
C 2.654115 -0.030524 0.611676
C 2.640417 2.277142 0.243100
C -3.792312 -0.912812 0.943083
C -2.955562 -0.023946 1.627261
C 0.828850 -1.529629 -0.081318
C 0.736609 3.456135 -0.802556
C 3.366846 -1.183530 1.129257
C 3.316093 3.555026 0.357796
C 1.546978 -2.592672 0.411406
C 1.398693 4.639635 -0.673810
C 2.834300 -2.431623 1.034416
C 2.713109 4.689222 -0.089537
C -5.212076 -1.298024 2.864442
C 1.569759 -4.993365 0.764017
H 0.414147 1.129416 -2.972278
H -1.334486 1.503105 -2.993038
H -0.115234 -1.331543 -2.639099
H -0.832838 -0.711728 -4.130524
H -2.413048 -2.137079 -2.669614
H -3.058601 -0.560989 -3.150857
H -1.229770 1.253071 1.450897
H -4.252281 -1.944984 -0.893364
H -3.117834 0.224433 2.670233
H -0.148546 -1.703025 -0.533213
H -0.268196 3.412549 -1.230146
H 4.340721 -1.002526 1.591955
H 4.308133 3.557991 0.811628
H 0.949647 5.574888 -1.003758
H 3.363693 -3.299312 1.419396
H 3.205092 5.658372 -0.013034
H -5.449126 -0.240146 3.008819
H -4.393741 -1.624981 3.512279
H -6.102213 -1.923624 3.009428
H 1.680762 -4.920208 1.849434
H 2.526421 -5.160054 0.261556
H 0.846722 -5.776886 0.498444


%chk=000252544-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252544

0 1
O -5.118336 -1.501955 1.347581
O 1.086563 -3.939820 0.601300
N -0.492024 0.675446 -1.113044
N 3.391487 1.186560 0.725198
C -0.605032 0.971529 -2.563773
C -1.176902 -0.259296 -3.298010
C -2.598053 -0.553739 -2.771718
C -1.634785 0.113968 -0.471866
C -2.681606 -0.479380 -1.248308
C 0.761915 0.836221 -0.455787
C 1.453481 -0.282613 0.130445
C 1.390040 2.122752 -0.424150
C -1.770806 0.169592 0.939471
C -3.814655 -0.993180 -0.586760
C 2.766210 -0.034333 0.724371
C 2.725215 2.240219 0.158492
C -3.935941 -0.945709 0.820450
C -2.901119 -0.361297 1.591306
C 0.949427 -1.620908 0.112393
C 0.745536 3.319845 -0.899006
C 3.474171 -1.138055 1.312327
C 3.373493 3.525902 0.165975
C 1.676809 -2.667987 0.683669
C 1.394805 4.550567 -0.855819
C 2.952701 -2.426548 1.304322
C 2.731173 4.653372 -0.335378
C -5.276529 -1.476913 2.801257
C 1.802992 -5.073436 1.190570
H 0.396520 1.232034 -2.941977
H -1.275732 1.839896 -2.738717
H -0.508006 -1.123140 -3.125016
H -1.203099 -0.066654 -4.386930
H -2.937622 -1.548816 -3.115282
H -3.304958 0.181612 -3.208471
H -0.979619 0.638484 1.532974
H -4.626120 -1.453685 -1.161767
H -2.964258 -0.302628 2.681791
H -0.018874 -1.847118 -0.339073
H -0.282792 3.254787 -1.267280
H 4.447683 -0.917428 1.760500
H 4.380360 3.570917 0.592539
H 0.881881 5.452700 -1.207390
H 3.517737 -3.245237 1.759793
H 3.232064 5.627692 -0.319003
H -5.292883 -0.439149 3.189424
H -4.470893 -2.045970 3.306141
H -6.246501 -1.958718 2.994813
H 1.947170 -4.940308 2.280359
H 2.783556 -5.233748 0.701584
H 1.154556 -5.943126 1.008878


