%chk=000281126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281126

0 1
O -2.234722 1.342782 0.839974
O 3.049082 0.168633 -0.828639
O -2.977863 -1.889341 0.651148
O -0.943011 2.236784 -0.824432
O 2.133999 1.791479 0.493767
N -0.233800 0.347537 0.450278
N 0.788260 0.090518 -0.505860
C -0.854719 -0.857845 1.097569
C 0.932305 -1.368762 -0.884832
C 0.194006 -1.910644 1.371059
C 1.045539 -2.198847 0.381028
C -1.916969 -1.545797 0.191762
C -0.287892 -1.744893 -1.701773
C -1.535093 -1.795015 -1.223442
C -1.132397 1.393450 0.012065
C 2.010509 0.786205 -0.153758
C -3.222508 2.419073 0.689648
C 4.344732 0.858006 -0.812151
C -4.074111 2.163325 -0.533695
C 5.014101 0.673223 0.531625
H -1.350732 -0.479876 2.036041
H 1.864951 -1.455344 -1.511655
H 0.180863 -2.383030 2.347585
H 1.829978 -2.944318 0.427087
H -0.075824 -1.965004 -2.751793
H -2.382474 -2.067374 -1.862366
H -3.774244 2.307927 1.642181
H -2.687303 3.384352 0.650146
H 4.857924 0.330800 -1.637428
H 4.177424 1.920443 -1.065202
H -4.918959 2.860606 -0.587021
H -3.490769 2.282455 -1.459593
H -4.483704 1.143902 -0.534953
H 6.038894 1.063836 0.526464
H 4.465005 1.206616 1.324818
H 5.058919 -0.382963 0.824250


%chk=000281126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281126

0 1
O -2.228150 1.377198 0.821316
O 3.064241 0.276782 -0.878304
O -3.082553 -1.916653 0.703089
O -0.796961 2.218598 -0.854770
O 2.016376 1.760252 0.622920
N -0.309644 0.247196 0.356417
N 0.835753 0.000629 -0.423018
C -0.867499 -0.913430 1.130005
C 0.922630 -1.431701 -0.890153
C 0.204596 -1.958437 1.402768
C 1.055599 -2.271082 0.393171
C -1.957199 -1.593234 0.239996
C -0.322398 -1.783256 -1.696050
C -1.590056 -1.843518 -1.186347
C -1.091491 1.361160 0.004498
C 1.981014 0.765044 -0.131122
C -3.173874 2.507564 0.581896
C 4.329726 1.059478 -0.738567
C -4.139706 2.176053 -0.558206
C 5.124003 0.608075 0.489349
H -1.347284 -0.545640 2.048099
H 1.823612 -1.508921 -1.512210
H 0.216741 -2.447422 2.380233
H 1.845397 -3.023278 0.476944
H -0.167455 -2.006995 -2.758655
H -2.427711 -2.147600 -1.826438
H -3.692654 2.613133 1.547982
H -2.583760 3.414907 0.364039
H 4.863292 0.850572 -1.679828
H 4.070512 2.130693 -0.678207
H -4.892448 2.980619 -0.655162
H -3.598820 2.093781 -1.516093
H -4.668936 1.228090 -0.359160
H 6.092154 1.141776 0.522185
H 4.572252 0.838412 1.415828
H 5.330100 -0.475947 0.451458


