%chk=000110846.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110846

0 1
 O    1.246400       1.124700       1.529200    
 N    2.355400     -0.4937000      0.1975000    
 N    2.104200      -1.772900     -0.2500000    
 N  -0.8913000     -0.6110000      0.3931000    
 N   -1.904800     -0.6958000       1.125100    
 C   0.3095000      -1.072100       1.067100    
 C   0.9533000      -2.124300      0.2295000    
 C    1.329400      2.7100001E-02   1.004000    
 C    3.528600      0.1415000     -0.1769000    
 C   0.3226000      -3.451900     -1.2900000E-02
 C   -3.039900     -0.2391000      0.4346000    
 C   -3.412600       1.101500      0.4906000    
 C    3.794700       1.446200      0.2546000    
 C    4.459300     -0.5145000     -0.9908000    
 C   -5.295500      0.6310000     -0.9482000    
 C   -4.542400       1.537200     -0.2018000    
 C   -3.789200      -1.146800     -0.3096000    
 C   -4.918800     -0.7110000      -1.002200    
 C   -2.620900       2.091100       1.281300    
 C    4.975600       2.085800     -0.1226000    
 C    5.640200      0.1250000      -1.367800    
 C    5.898400       1.425200     -0.9336000    
 C   -6.502400       1.096700      -1.690100    
 H   0.1733000      -1.421000       2.095700    
 H   9.7800002E-02  -3.926900      0.9454000    
 H   0.9973000      -4.095200     -0.5838000    
 H  -0.6058000      -3.319200     -0.5741000    
 H    3.131300       2.023200      0.8839000    
 H    4.296100      -1.527400      -1.349700    
 H   -4.839900       2.582500     -0.1629000    
 H   -3.504000      -2.194500     -0.3569000    
 H   -5.498000      -1.427300      -1.578900    
 H   -1.647700       2.262800      0.8101000    
 H   -3.131800       3.057600       1.351700    
 H   -2.467900       1.735300       2.305700    
 H    5.177900       3.098300      0.2148000    
 H    6.359100     -0.3889000      -1.999200    
 H    6.817800       1.923200      -1.227100    
 H   -6.699100      0.4668000      -2.564300    
 H   -7.379300       1.069600      -1.035500    
 H   -6.368000       2.120100      -2.056900    


%chk=000110846-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110846

0 1
O 1.463992 1.756541 0.346747
N 2.617791 -0.324017 0.064146
N 2.342358 -1.719710 0.286119
N -0.803333 -0.364217 0.155046
N -1.771698 0.152383 0.857047
C 0.444947 -0.468408 0.956818
C 1.122741 -1.817607 0.777484
C 1.535558 0.505635 0.421663
C 3.895001 0.036642 -0.466835
C 0.489868 -3.136112 1.088732
C -3.008290 0.330188 0.153308
C -4.099055 0.828502 0.930796
C 4.209071 1.396190 -0.732955
C 4.849194 -0.981991 -0.725448
C -5.524524 0.759173 -1.100348
C -5.339997 1.029233 0.277724
C -3.175863 0.057485 -1.234447
C -4.417186 0.267918 -1.849564
C -3.944933 1.134995 2.407978
C 5.479078 1.720078 -1.255913
C 6.111617 -0.635935 -1.248521
C 6.436988 0.714083 -1.517277
C -6.862424 0.998311 -1.773665
H 0.244401 -0.230839 2.022977
H 0.194375 -3.195479 2.153266
H 1.183938 -3.961389 0.863800
H -0.431443 -3.265270 0.489950
H 3.471740 2.175982 -0.532080
H 4.589331 -2.021854 -0.516697
H -6.185640 1.411011 0.862583
H -2.314416 -0.310869 -1.800365
H -4.541387 0.059120 -2.919025
H -3.110566 1.835375 2.584325
H -4.871333 1.575566 2.814284
H -3.710910 0.222354 2.985018
H 5.716526 2.770173 -1.459635
H 6.843461 -1.427062 -1.446492
H 7.419774 0.976664 -1.923260
H -6.787150 1.800710 -2.532343
H -7.214382 0.091059 -2.299178
H -7.638320 1.294283 -1.047666


