%chk=000180908.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180908

0 1
O -2.772090 -0.643213 -2.121429
O 0.545513 1.667998 1.596328
N 1.032236 1.708737 -0.652279
N -2.433240 0.665291 -1.778160
C 2.514739 1.470270 -0.532440
C -1.315414 1.925946 0.063843
C 2.773167 0.037905 -0.048002
C 3.093871 2.534487 0.408752
C 3.119413 1.615271 -1.941653
C 0.172614 1.748511 0.439604
C -1.801375 0.682106 -0.604043
C -2.134078 2.221344 1.341679
C -1.673730 -0.682935 -0.098565
C 3.850257 -0.249993 0.801490
C 1.957734 -1.014817 -0.492822
C -2.310624 -1.476260 -1.089097
C -1.107199 -1.300956 1.022953
C 4.101418 -1.564485 1.207456
C 2.207564 -2.327203 -0.083646
C 3.280906 -2.606557 0.767659
C -2.425292 -2.865574 -1.007782
C -3.438182 2.749357 1.035842
C -1.211422 -2.685170 1.117892
C -1.862529 -3.451679 0.122431
C -4.531076 3.192826 0.789329
H -1.422318 2.803851 -0.631570
H 0.656965 1.753071 -1.598474
H 2.822486 3.546820 0.089508
H 2.701526 2.406555 1.433014
H 4.185753 2.487268 0.458067
H 2.966889 2.618463 -2.354711
H 2.707617 0.886858 -2.649947
H 4.203266 1.441670 -1.910965
H -2.221708 1.296320 1.961634
H -1.563993 2.937368 1.986082
H 4.500746 0.546853 1.159990
H 1.116279 -0.819914 -1.156523
H -0.591576 -0.707294 1.782488
H 4.938542 -1.773773 1.871255
H 1.560928 -3.132453 -0.428740
H 3.475823 -3.628274 1.085860
H -2.925104 -3.441994 -1.780243
H -0.781175 -3.198788 1.977521
H -1.920819 -4.534233 0.248999
H -5.468411 3.569116 0.575515


%chk=000180908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180908

0 1
O -2.627373 -0.623528 -2.249973
O 0.635103 1.482911 1.666239
N 1.121502 1.739637 -0.605892
N -2.194187 0.744933 -1.862823
C 2.601605 1.523293 -0.535025
C -1.231856 1.892658 0.091046
C 2.909245 0.092714 -0.025993
C 3.230382 2.635042 0.343124
C 3.123703 1.654566 -1.993706
C 0.265901 1.690548 0.471508
C -1.748845 0.648765 -0.592901
C -2.048484 2.267175 1.365102
C -1.835379 -0.706427 -0.079617
C 3.999820 -0.179135 0.835504
C 2.132370 -0.998952 -0.493136
C -2.397996 -1.458446 -1.145003
C -1.481320 -1.355073 1.131553
C 4.306297 -1.504732 1.219855
C 2.431676 -2.322656 -0.108390
C 3.525413 -2.583441 0.749368
C -2.658002 -2.838030 -1.069040
C -3.459983 2.561017 1.072652
C -1.732112 -2.737296 1.229791
C -2.316223 -3.464107 0.148960
C -4.642676 2.814131 0.834396
H -1.312773 2.723440 -0.636085
H 0.715854 1.904922 -1.531248
H 2.920213 3.623063 -0.040450
H 2.896606 2.540624 1.388861
H 4.332804 2.591176 0.306245
H 2.922112 2.666693 -2.392662
H 2.653898 0.904233 -2.655627
H 4.212811 1.485002 -2.016851
H -1.969465 1.449683 2.103297
H -1.566746 3.144773 1.835243
H 4.610248 0.639490 1.228546
H 1.273945 -0.813359 -1.149757
H -1.004759 -0.806489 1.949802
H 5.151523 -1.691933 1.892056
H 1.808768 -3.147460 -0.472930
H 3.760768 -3.610435 1.050318
H -3.097175 -3.388717 -1.904649
H -1.469244 -3.269863 2.149414
H -2.499363 -4.538005 0.264321
H -5.673710 3.026290 0.618658


