%chk=000251802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251802

0 1
O -4.173787 -0.557745 -0.000664
O -4.268582 1.695701 0.000057
O 2.513603 -1.807017 -0.000316
O 6.036950 0.986547 0.001100
N 2.101605 0.482986 -0.000846
N 4.358732 -0.417800 -0.000117
N 4.855443 0.842655 0.000281
C 0.670680 0.462207 -0.000668
C -2.118587 0.582593 -0.000398
C 0.024105 1.719670 -0.000240
C -0.075805 -0.728012 -0.000945
C -1.365443 1.770739 -0.000113
C -1.467774 -0.660725 -0.000813
C -3.592089 0.689187 -0.000241
C 2.915524 -0.662179 -0.000837
C -5.645290 -0.595763 -0.000647
C -5.966664 -2.074163 -0.001228
C 5.235852 -1.623853 0.000354
H 0.596920 2.645049 -0.000010
H 0.422318 -1.704295 -0.001266
H -1.884881 2.735314 0.000214
H -2.062637 -1.580673 -0.001034
H 2.541171 1.413663 -0.000755
H -5.992689 -0.065982 0.903054
H -5.992737 -0.065262 -0.903908
H -7.050109 -2.244127 -0.001228
H -5.545222 -2.576578 -0.882928
H -5.545112 -2.577291 0.880013
H 5.880709 -1.625677 0.895834
H 5.881868 -1.625513 -0.894290
H 4.635625 -2.553259 -0.000114


%chk=000251802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251802

0 1
O -4.239587 -0.588689 -0.000954
O -4.201637 1.743509 -0.001861
O 2.657149 -2.011172 0.001532
O 5.933067 1.216200 -0.002795
N 2.143084 0.302093 0.002773
N 4.391005 -0.419287 0.000554
N 4.685127 0.945898 -0.000112
C 0.724318 0.310653 0.001829
C -2.104333 0.497313 0.000095
C 0.089351 1.584528 0.000871
C -0.062409 -0.873313 0.001902
C -1.310485 1.674051 0.000028
C -1.465485 -0.768957 0.001034
C -3.585007 0.647079 -0.000830
C 2.980168 -0.795016 0.003699
C -5.732413 -0.535116 -0.002130
C -6.224332 -1.978674 -0.002191
C 5.447398 -1.443754 -0.002231
H 0.696389 2.498001 0.000818
H 0.428087 -1.848035 0.002659
H -1.813479 2.646261 -0.000698
H -2.080517 -1.672952 0.001091
H 2.630173 1.208892 0.002565
H -6.060440 0.025907 0.891744
H -6.059051 0.025508 -0.896761
H -7.329501 -1.996762 -0.003038
H -5.867996 -2.517095 -0.896976
H -5.869376 -2.516704 0.893378
H 6.086190 -1.326882 0.890006
H 6.081885 -1.326561 -0.897496
H 4.956354 -2.426528 -0.001204


