%chk=000006806.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006806

0 1
I 0.018715 2.772080 -0.726997
I 2.271174 -2.984430 -0.360384
I -3.620966 -2.034448 0.690967
O -3.052134 1.573104 1.172731
O 3.130255 -0.101478 1.410264
O -3.407190 1.391632 -1.119898
N 2.177338 0.341887 -0.685006
C 0.888085 -0.182724 -0.392080
C -0.254245 0.668314 -0.354687
C -1.552187 0.180635 -0.066160
C 0.682761 -1.568553 -0.142605
C -1.699127 -1.198462 0.224722
C -0.592893 -2.070226 0.189657
C 3.235349 0.384127 0.249693
C -2.751819 1.094642 -0.100610
C 4.487060 1.076167 -0.279727
H -0.725335 -3.133657 0.394735
H 2.286952 0.878361 -1.549718
H 4.791543 0.669005 -1.260879
H 5.304090 0.929891 0.440992
H 4.309814 2.162063 -0.395346
H -3.855442 2.162069 1.129437


%chk=000006806-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006806

0 1
I -0.015724 2.813411 -0.643784
I 2.274491 -2.940827 -0.464283
I -3.613288 -2.057405 0.652444
O -3.067877 1.542257 1.229919
O 3.141759 -0.142485 1.381480
O -3.432750 1.414506 -1.064750
N 2.162546 0.400249 -0.672857
C 0.878399 -0.143207 -0.393508
C -0.270014 0.698235 -0.328081
C -1.563343 0.192522 -0.050324
C 0.683312 -1.537871 -0.187777
C -1.699491 -1.195321 0.201129
C -0.587489 -2.057769 0.134834
C 3.234967 0.387631 0.244117
C -2.769994 1.097933 -0.056193
C 4.511131 1.028730 -0.286722
H -0.712012 -3.127878 0.307632
H 2.257393 0.988069 -1.504951
H 5.138739 0.250338 -0.758933
H 5.074938 1.452195 0.558305
H 4.321612 1.820326 -1.033506
H -3.875506 2.126361 1.204909


