%chk=000244887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244887

0 1
O -0.614148 -1.584919 -1.404770
O 0.610932 1.701159 -1.286935
N -3.035308 -0.159010 -1.346721
N 3.032100 0.275015 -1.338500
N -1.789157 0.438787 -1.327018
N 1.785947 -0.322749 -1.359125
C -5.443549 -0.091673 -1.340106
C 5.440345 0.207593 -1.342757
C -6.222347 0.254074 -0.054679
C 6.222264 -0.230367 -0.087692
C -5.560714 -0.341599 1.194257
C 5.563728 0.273095 1.202767
C -6.227751 0.356516 -2.591822
C 6.221436 -0.148597 -2.625593
C -6.362979 -0.019806 2.462625
C 6.369172 -0.139581 2.442484
C -4.091813 0.597204 -1.316400
C 4.088610 -0.481312 -1.365740
C -5.575184 -0.127918 -3.882607
C 5.565754 0.428094 -3.876255
C -5.704922 -0.609258 3.708039
C 5.714160 0.357867 3.728974
C -0.655609 -0.376994 -1.359394
C 0.652396 0.493130 -1.329417
H -5.300711 -1.203939 -1.387177
H 5.297490 1.320331 -1.308716
H -6.320642 1.350722 0.053316
H -7.257779 -0.130683 -0.144133
H 7.257499 0.159978 -0.151543
H 6.320750 -1.331949 -0.059743
H -5.457635 -1.438957 1.081262
H -4.525632 0.038677 1.296377
H 4.528920 -0.113814 1.279634
H 5.460318 1.375732 1.169843
H -7.262193 -0.037778 -2.530831
H -6.328579 1.458684 -2.608605
H 7.256063 0.240323 -2.538711
H 6.322120 -1.246640 -2.722492
H -7.394860 -0.410631 2.365874
H -6.464109 1.077031 2.577760
H 6.470684 -1.241851 2.477559
H 7.400774 0.257506 2.371767
H -4.125673 1.693386 -1.275428
H 4.122472 -1.577574 -1.404485
H -6.153522 0.179713 -4.760754
H -4.559352 0.268469 -4.000076
H -5.492789 -1.221864 -3.908552
H 4.549580 0.041226 -4.019635
H 6.141880 0.184942 -4.775817
H 5.483452 1.521040 -3.822639
H -4.693095 -0.214476 3.855920
H -5.621663 -1.700412 3.642624
H -6.282836 -0.377706 4.609557
H 5.630674 1.450872 3.743049
H 4.702724 -0.046837 3.850335
H 6.294314 0.061700 4.609907
H -1.673559 1.466587 -1.288337
H 1.670352 -1.350657 -1.394826


%chk=000244887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244887

0 1
O -0.447805 -1.684438 -1.407575
O 0.441268 1.805324 -1.293115
N -3.025396 -0.360917 -1.366388
N 3.018988 0.480640 -1.338962
N -1.784683 0.279137 -1.342656
N 1.777786 -0.158661 -1.357101
C -5.474505 -0.154869 -1.359147
C 5.467993 0.271788 -1.352801
C -6.250594 0.247927 -0.069074
C 6.249507 -0.223631 -0.098810
C -5.657085 -0.332368 1.233607
C 5.663026 0.259990 1.245827
C -6.234597 0.324963 -2.633455
C 6.221669 -0.116651 -2.661681
C -6.478597 0.045347 2.487331
C 6.492222 -0.207471 2.463758
C -4.079091 0.418232 -1.334075
C 4.071872 -0.299931 -1.363206
C -5.614805 -0.174244 -3.955446
C 5.597400 0.478730 -3.941137
C -5.886919 -0.537048 3.789020
C 5.909805 0.278836 3.808334
C -0.604228 -0.429360 -1.366082
C 0.597562 0.550220 -1.334059
H -5.380868 -1.258037 -1.393300
H 5.375949 1.374736 -1.307829
H -6.295368 1.355857 0.002263
H -7.298810 -0.097926 -0.178805
H 7.297277 0.129395 -0.188322
H 6.294650 -1.333738 -0.108495
H -5.599654 -1.437271 1.150334
H -4.612795 0.018069 1.361859
H 4.619625 -0.099636 1.354502
H 5.604859 1.367897 1.243361
H -7.281337 -0.030892 -2.557306
H -6.283067 1.433908 -2.633135
H 7.269708 0.230172 -2.564759
H 6.266866 -1.222868 -2.741913
H -7.521869 -0.310647 2.361914
H -6.535497 1.150495 2.567494
H 6.549160 -1.315517 2.463373
H 7.534829 0.156669 2.357501
H -4.002663 1.527678 -1.289471
H 3.994162 -1.409693 -1.396429
H -6.206215 0.169583 -4.823609
H -4.579887 0.191472 -4.084192
H -5.578863 -1.278940 -3.983639
H 4.560581 0.126573 -4.090512
H 6.183480 0.196998 -4.834891
H 5.565297 1.582711 -3.888787
H -4.855321 -0.172492 3.952889
H -5.847471 -1.641817 3.746293
H -6.490063 -0.253736 4.671128
H 5.868207 1.383697 3.845542
H 4.880172 -0.098825 3.954096
H 6.520415 -0.065966 4.663007
H -1.680688 1.310547 -1.307538
H 1.673205 -1.190103 -1.389835


