%chk=000186729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186729

0 1
O 3.646147 1.113166 -0.324735
O 3.727711 -0.803426 0.889844
O -3.241736 2.058324 -0.508450
O -4.582558 -0.328149 -0.462568
N -0.663109 -0.209488 0.690304
N 1.560424 -1.316298 -1.131846
C 0.776058 -0.151688 1.023180
C 1.650402 -0.128922 -0.263203
C -1.310273 0.971037 0.264461
C -1.344607 -1.418126 0.705607
C 3.116689 -0.040740 0.183137
C -2.619518 0.910455 -0.110048
C -2.657922 -1.508064 0.335527
C -3.413863 -0.358652 -0.107548
C 5.056656 1.364527 -0.066484
H 1.060000 -1.016671 1.668881
H 0.981620 0.758691 1.636518
H 1.392759 0.779315 -0.881455
H -0.742707 1.902667 0.261695
H -0.786327 -2.299718 1.044381
H 0.664685 -1.359614 -1.610105
H 1.699136 -2.181059 -0.616174
H -3.190006 -2.458224 0.368762
H 5.162419 2.423524 -0.325827
H 5.648268 0.721962 -0.726622
H 5.294153 1.170747 0.984588
H -4.204700 1.841926 -0.749423


%chk=000186729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186729

0 1
O 3.411334 1.116669 0.113371
O 4.003604 -1.098102 -0.308903
O -3.322276 2.105149 -0.617823
O -4.652179 -0.160421 -0.296372
N -0.605227 -0.056035 0.648884
N 1.370395 -1.791581 -0.826949
C 0.853865 -0.005610 0.859977
C 1.628459 -0.407773 -0.447738
C -1.259905 1.084515 0.159590
C -1.297671 -1.244429 0.806813
C 3.133610 -0.201868 -0.223415
C -2.603756 1.023585 -0.147329
C -2.654023 -1.349298 0.516122
C -3.394212 -0.215553 0.015443
C 4.842508 1.440085 0.358265
H 1.127115 -0.715567 1.658615
H 1.138714 1.014264 1.167875
H 1.316421 0.309573 -1.235415
H -0.670684 1.998182 0.060964
H -0.703082 -2.090388 1.156045
H 0.735996 -1.939597 -1.610335
H 2.198842 -2.393092 -0.820749
H -3.169909 -2.300236 0.668493
H 4.845134 2.504082 0.630526
H 5.429424 1.260462 -0.557421
H 5.238175 0.814873 1.175471
H -4.260872 1.735614 -0.731611


