%chk=000250348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250348

0 1
O 0.841724 -1.486703 1.470515
O 2.161236 0.095420 -2.674637
N -3.794464 -0.726326 0.447032
N 1.799900 -0.532093 -0.443633
C -0.359008 -1.589823 -0.681321
C -1.638357 -0.969537 -0.263276
C 0.134575 -1.114744 -2.061777
C -2.780532 -1.659031 0.150995
C -1.931795 0.441939 -0.202723
C 0.769738 -1.221723 0.301086
C -3.289532 0.575190 0.246130
C 1.471100 -0.436845 -1.843335
C -2.997968 -3.115094 0.288812
C -1.187292 1.606670 -0.470498
C 3.007407 0.006685 0.143289
C -3.900250 1.833525 0.413164
C -5.130505 -1.052393 0.956678
C -1.791965 2.840925 -0.304672
C -3.137345 2.953161 0.131091
C 3.681674 1.065604 -0.491110
C 3.500890 -0.530910 1.345524
C 4.847005 1.576779 0.082770
C 4.665072 -0.001448 1.905167
C 5.342400 1.049524 1.279321
H -0.457270 -2.707203 -0.673667
H -0.581124 -0.407155 -2.534783
H 0.234197 -1.947680 -2.782566
H -3.774014 -3.483726 -0.398607
H -2.077997 -3.681815 0.072872
H -3.299089 -3.387854 1.312885
H -0.150966 1.530747 -0.791105
H -4.926511 1.916110 0.754017
H -5.805863 -0.182734 0.868875
H -5.086805 -1.343849 2.022731
H -5.578307 -1.884477 0.384968
H -1.231471 3.752647 -0.505130
H -3.567314 3.947109 0.246901
H 3.314165 1.479910 -1.432624
H 2.976017 -1.343855 1.852643
H 5.371806 2.394643 -0.410307
H 5.045368 -0.414692 2.838981
H 6.249569 1.454923 1.720923


%chk=000250348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250348

0 1
O 0.789505 -1.159210 1.597135
O 2.373024 -0.178655 -2.731647
N -3.868591 -0.736617 0.430930
N 1.875945 -0.522761 -0.425693
C -0.338302 -1.487323 -0.608754
C -1.680297 -0.918672 -0.220248
C 0.175038 -1.088455 -2.018289
C -2.819387 -1.642657 0.157787
C -2.026604 0.491392 -0.171055
C 0.795113 -1.052491 0.352372
C -3.403335 0.571199 0.235265
C 1.588189 -0.546924 -1.828176
C -3.016864 -3.125646 0.295468
C -1.314222 1.695704 -0.414700
C 3.113137 -0.030287 0.135253
C -4.078230 1.801254 0.390552
C -5.224849 -1.064606 0.871684
C -1.980748 2.927615 -0.262102
C -3.348773 2.980979 0.133446
C 3.740981 1.102758 -0.438756
C 3.691973 -0.677494 1.254649
C 4.949820 1.581304 0.108945
C 4.897405 -0.183137 1.797066
C 5.532534 0.944288 1.228211
H -0.383253 -2.590032 -0.527153
H -0.450519 -0.303385 -2.476785
H 0.205426 -1.931688 -2.728528
H -3.814779 -3.505889 -0.371466
H -2.089431 -3.661659 0.037453
H -3.279272 -3.413902 1.331490
H -0.256826 1.680406 -0.703272
H -5.126926 1.848085 0.703339
H -5.976194 -0.666102 0.164615
H -5.427253 -0.642256 1.873863
H -5.348768 -2.156440 0.926359
H -1.439713 3.862702 -0.443946
H -3.839220 3.954378 0.245015
H 3.300831 1.592405 -1.310133
H 3.198659 -1.541710 1.704361
H 5.434055 2.454934 -0.340608
H 5.339307 -0.683298 2.665653
H 6.469512 1.321691 1.652001


