%chk=000220818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220818

0 1
I -4.812628 -1.280584 -0.149916
I -3.941082 2.972659 -0.166996
O -2.282251 0.455860 0.064176
O -3.281705 -4.200736 0.067514
O -1.412625 5.079202 0.023972
O 3.343988 0.028105 -2.769382
O 1.226922 -0.583975 -2.391368
C 0.506431 -0.076992 0.363763
C -0.451062 -1.159411 0.304151
C 0.069702 1.215474 0.280647
C 1.945107 -0.401082 0.548288
C -1.818681 -0.839461 0.143771
C -1.353409 1.504656 0.124675
C -0.096200 -2.533427 0.360563
C 0.937043 2.394064 0.329910
C 2.823544 -0.528891 -0.544484
C -2.818701 -1.820465 0.066839
C -1.882403 2.744509 0.040416
C 2.433104 -0.566764 1.851995
C -1.054235 -3.521818 0.283992
C -2.421383 -3.161501 0.133701
C 0.443905 3.638582 0.244216
C -1.013183 3.938836 0.092687
C 4.181093 -0.807905 -0.321597
C 3.784765 -0.853418 2.065076
C 4.658985 -0.972487 0.980259
C 2.327036 -0.384452 -1.934718
H 0.959198 -2.802532 0.465921
H 2.008960 2.209749 0.439704
H 1.755155 -0.466156 2.701865
H -0.797811 -4.580474 0.325356
H 1.079120 4.525555 0.278151
H 4.860041 -0.888740 -1.176930
H 4.157466 -0.980834 3.083342
H 5.714316 -1.190058 1.148904
H -4.246019 -3.899116 -0.048709
H 3.035297 0.138028 -3.711952


%chk=000220818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220818

0 1
I -4.871344 -1.379078 -0.233897
I -4.014104 3.185548 -0.030361
O -2.298611 0.471479 0.073200
O -3.260434 -4.286044 -0.103413
O -1.472244 5.223454 0.287654
O 3.353016 -0.809700 -2.912904
O 1.154562 -0.356514 -2.335184
C 0.493407 -0.035504 0.335597
C -0.445604 -1.137174 0.239123
C 0.025620 1.285621 0.336385
C 1.954651 -0.330774 0.515474
C -1.837134 -0.839983 0.099556
C -1.403188 1.555926 0.199038
C -0.061762 -2.510125 0.264311
C 0.898038 2.440214 0.441708
C 2.842379 -0.598146 -0.572199
C -2.802133 -1.861124 -0.016701
C -1.928019 2.836511 0.179130
C 2.473989 -0.350518 1.834054
C -1.005986 -3.532502 0.152136
C -2.385524 -3.217601 0.006753
C 0.397903 3.719146 0.423932
C -1.047224 4.018211 0.296089
C 4.212372 -0.874680 -0.319321
C 3.836882 -0.630035 2.078443
C 4.709815 -0.894499 0.998350
C 2.336897 -0.568345 -1.975173
H 0.996877 -2.762581 0.374325
H 1.974821 2.266928 0.534558
H 1.798645 -0.142506 2.670541
H -0.722198 -4.587715 0.168657
H 1.051129 4.594751 0.501448
H 4.870482 -1.068013 -1.170171
H 4.212920 -0.637888 3.107031
H 5.767393 -1.109416 1.182159
H -4.199086 -3.961920 -0.206310
H 2.960596 -0.771405 -3.826217


