%chk=000221865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221865

0 1
O -2.429184 2.331964 1.733086
O -1.311013 0.942079 2.944453
O -4.317514 -1.347274 -2.845231
O -4.851166 0.580412 -2.020135
N 0.453821 -0.689796 1.162632
N -1.829013 1.280078 1.884769
N -4.161441 -0.426160 -2.056524
C 1.121877 0.499353 1.767510
C 1.303775 -1.920990 1.161023
C -0.795254 -0.688946 0.607762
C 1.141264 1.705895 0.860020
C 2.439817 -1.828535 0.170381
C -1.778057 0.351394 0.763511
C -1.173326 -1.788211 -0.257752
C -2.846114 0.455767 -0.149699
C -2.252592 -1.708457 -1.093019
C 1.590061 1.604730 -0.463929
C 2.186972 -1.893063 -1.207542
C 0.755587 2.953836 1.371823
C 3.757007 -1.697419 0.632802
C -3.069321 -0.540771 -1.092997
C 1.638257 2.742601 -1.273834
C 3.247361 -1.827282 -2.115302
C 0.809103 4.088901 0.558738
C 4.814043 -1.633444 -0.279976
C 1.247855 3.985388 -0.765226
C 4.561430 -1.697985 -1.653731
H 2.180569 0.233182 2.011200
H 0.639128 0.730597 2.756839
H 0.683144 -2.826734 0.943493
H 1.683615 -2.076028 2.200677
H -0.566100 -2.696335 -0.252603
H -3.525107 1.326881 -0.093180
H -2.510319 -2.527000 -1.778039
H 1.904137 0.641160 -0.864820
H 1.165690 -1.987239 -1.576555
H 0.403372 3.045049 2.400950
H 3.966061 -1.648944 1.700260
H 1.981390 2.659856 -2.304162
H 3.048579 -1.877767 -3.185885
H 0.499675 5.054804 0.957871
H 5.837195 -1.532128 0.081525
H 1.282713 4.870274 -1.398867
H 5.386522 -1.647695 -2.363418


%chk=000221865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221865

0 1
O -2.506574 2.248945 1.973098
O -1.069796 0.796663 2.983690
O -4.583408 -1.445028 -2.673045
O -5.231719 0.451580 -1.572706
N 0.595800 -0.540974 0.971105
N -1.754461 1.198476 1.953351
N -4.396611 -0.510482 -1.794681
C 1.269908 0.682492 1.488263
C 1.378666 -1.791666 1.162065
C -0.690359 -0.585626 0.450960
C 1.045511 1.942204 0.657812
C 2.607084 -1.942834 0.264749
C -1.745237 0.359361 0.744312
C -1.016594 -1.594960 -0.525332
C -2.932607 0.411084 -0.016405
C -2.212093 -1.587923 -1.239352
C 1.335391 1.957261 -0.731360
C 2.551665 -1.668039 -1.126144
C 0.622014 3.139961 1.282711
C 3.822150 -2.414883 0.820481
C -3.154750 -0.551221 -1.009040
C 1.192734 3.143486 -1.480762
C 3.685440 -1.871344 -1.943175
C 0.483543 4.331046 0.535057
C 4.957277 -2.621510 0.004215
C 0.765820 4.336030 -0.849073
C 4.891505 -2.351130 -1.381417
H 2.348261 0.433567 1.478042
H 0.969319 0.861587 2.538529
H 0.697479 -2.650546 1.036106
H 1.702250 -1.816619 2.221641
H -0.272418 -2.357533 -0.769795
H -3.689674 1.166163 0.209893
H -2.425566 -2.341248 -2.001961
H 1.682121 1.040704 -1.221672
H 1.624151 -1.292840 -1.573903
H 0.383442 3.139648 2.353149
H 3.881173 -2.623841 1.896207
H 1.418332 3.142634 -2.553065
H 3.629015 -1.655886 -3.015939
H 0.143859 5.246347 1.031201
H 5.889884 -2.986428 0.448178
H 0.651802 5.256913 -1.431499
H 5.770769 -2.507593 -2.015590


