%chk=000296168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296168

0 1
O -1.220525 -0.003178 -2.988881
O 7.387107 0.660150 0.085796
O 6.647832 0.603768 2.117567
N 1.158435 0.556683 -1.031422
N 6.485124 0.613814 0.907353
C -2.279919 0.964917 0.027593
C -2.738185 -1.389404 -0.500165
C -2.032164 -0.192680 -0.732963
C -3.256627 0.910891 1.076741
C -3.701006 -1.433375 0.559666
C -3.942947 -0.284612 1.327595
C -1.591379 2.214287 -0.206710
C -2.530282 -2.582131 -1.289369
C -3.512782 2.100194 1.857403
C -4.407902 -2.667520 0.813610
C -1.006245 -0.159157 -1.816711
C -1.863102 3.313352 0.551138
C -3.221156 -3.726330 -1.020983
C -2.841552 3.257657 1.603779
C -4.173674 -3.774235 0.054254
C 0.406390 -0.442319 -1.305990
C 2.493264 0.462857 -0.547603
C 3.565849 0.521422 -1.461924
C 2.728511 0.452883 0.843314
C 5.101662 0.563575 0.402956
C 4.870443 0.575288 -0.984042
C 4.034674 0.507076 1.316927
H -4.680495 -0.322325 2.131509
H -0.845909 2.260655 -1.004575
H -1.827718 -2.542926 -2.121230
H -4.258658 2.040555 2.649504
H -5.132597 -2.683585 1.627669
H -1.347350 4.258268 0.376911
H -3.072558 -4.627232 -1.617082
H -3.027126 4.160844 2.183779
H -4.700279 -4.710085 0.236711
H 0.635496 -1.516786 -1.227496
H 3.369730 0.540470 -2.534949
H 1.890194 0.418966 1.540094
H 5.721084 0.624827 -1.674668
H 4.243438 0.504082 2.393593


%chk=000296168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296168

0 1
O -0.830117 -0.843751 -2.650608
O 7.736930 0.660916 0.199137
O 6.784855 2.087564 1.705964
N 1.590959 0.011622 -1.442390
N 6.711604 1.243944 0.728203
C -2.232643 0.703767 0.316544
C -2.984642 -1.491235 -0.602209
C -2.041817 -0.403054 -0.577219
C -3.329699 0.673872 1.276376
C -4.080919 -1.497954 0.365015
C -4.212355 -0.431312 1.283756
C -1.418560 1.894574 0.274124
C -2.889399 -2.606930 -1.510761
C -3.512577 1.776251 2.184418
C -5.012372 -2.597545 0.382451
C -0.817991 -0.458122 -1.443869
C -1.625047 2.946673 1.165619
C -3.810222 -3.651422 -1.463984
C -2.672993 2.884509 2.144053
C -4.884930 -3.652797 -0.511872
C 0.498277 -0.147892 -0.749175
C 2.832940 0.319270 -0.846172
C 3.998537 -0.267628 -1.418966
C 2.968002 1.240444 0.237318
C 5.374074 0.925394 0.184216
C 5.268889 0.017506 -0.896354
C 4.238466 1.548486 0.750006
H -5.032460 -0.453915 2.012775
H -0.665970 2.006221 -0.513767
H -2.099150 -2.611736 -2.263922
H -4.339855 1.731130 2.902315
H -5.824486 -2.582342 1.118775
H -1.000068 3.844306 1.103222
H -3.717964 -4.484086 -2.169790
H -2.821265 3.721277 2.834321
H -5.596454 -4.485048 -0.496313
H 0.477543 -0.146779 0.359629
H 3.873984 -0.943644 -2.269498
H 2.078452 1.726624 0.652714
H 6.175499 -0.430768 -1.310349
H 4.372035 2.253211 1.574965


