%chk=000196422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196422

0 1
I -6.874773 0.411982 -0.490667
O -3.238820 -0.106218 -0.636541
O -1.362355 -1.557786 0.523042
O -3.748140 0.736681 1.407526
N 4.611359 0.670750 -0.226214
N 5.577561 -0.099821 -0.001986
N 6.579866 -0.607507 0.149495
C 0.488933 -0.195388 -0.043345
C -0.960411 -0.528068 0.031544
C -1.926797 0.492261 -0.566872
C 0.965517 1.087320 -0.367032
C 1.405534 -1.221195 0.242399
C 2.330744 1.344091 -0.417800
C 2.779766 -0.987577 0.193668
C 3.239368 0.299281 -0.138549
C -4.060200 0.042736 0.474002
C -5.276193 -0.787638 0.254304
H -1.705765 0.713143 -1.628685
H -1.960704 1.426647 0.029609
H 0.269835 1.902255 -0.575389
H 1.026619 -2.215460 0.508651
H 2.707196 2.338169 -0.666616
H 3.468735 -1.798403 0.415771
H -5.610031 -1.252175 1.203527
H -5.097143 -1.603778 -0.476040


%chk=000196422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196422

0 1
I -6.878544 0.677268 -0.206093
O -3.322156 -0.025665 -0.702231
O -1.375772 -1.707475 0.177493
O -3.515565 0.324054 1.600761
N 4.638047 0.738936 -0.137941
N 5.551623 -0.068776 0.211458
N 6.544966 -0.650980 0.492275
C 0.487464 -0.214861 -0.179019
C -0.962295 -0.571283 -0.182976
C -1.960764 0.513221 -0.643498
C 0.970146 1.068107 -0.562347
C 1.423336 -1.205122 0.231706
C 2.344776 1.354143 -0.539244
C 2.798660 -0.933859 0.260027
C 3.263833 0.354593 -0.128613
C -3.984253 -0.116385 0.530401
C -5.319061 -0.796812 0.354057
H -1.741785 0.846409 -1.671124
H -1.921501 1.373782 0.052119
H 0.278800 1.856147 -0.877919
H 1.036730 -2.185966 0.527541
H 2.727760 2.336477 -0.829734
H 3.507864 -1.706126 0.579232
H -5.660516 -1.225970 1.303951
H -5.302092 -1.529555 -0.462482


