%chk=000054717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054717

0 1
 I   0.2256000       5.561900      0.5342000    
 O  -0.3450000      -1.044200      -1.890100    
 O    3.982400     -5.7000000E-02  -1.092300    
 N    2.101300      -1.249000     -0.3531000    
 N  -0.9400000      -1.077700       1.532900    
 N   -1.442300     -0.9673000      0.2218000    
 C   0.8562000      -1.166200      0.1657000    
 C    2.643700      -2.599300     -0.6144000    
 C   0.4511000      -1.142300       1.441500    
 C  -0.3693000      -1.082900     -0.6708000    
 C    2.749600      -3.393100      0.6819000    
 C    1.782300      -3.326800      -1.638400    
 C    2.843700     -7.4199997E-02 -0.6248000    
 C   -2.741300     -0.4857000     -7.6600000E-02
 C    1.303100      -1.224900       2.663100    
 C   -1.666400      -1.910600       2.486500    
 C    2.234200       1.239100     -0.3548000    
 C   -3.276500     -0.6505000      -1.358100    
 C   -3.498000      0.1577000      0.9080000    
 C    2.400300       1.821400      0.8913000    
 C    1.505700       1.867400      -1.352400    
 C   -4.555100     -0.1768000      -1.652100    
 C   -4.776700      0.6312000      0.6139000    
 C   -5.305200      0.4640000     -0.6662000    
 C    1.822500       3.065000       1.147100    
 C   0.9280000       3.111100      -1.096800    
 C    1.086500       3.710000      0.1531000    
 H    3.651100      -2.487200      -1.031600    
 H    1.774100      -3.629300       1.117500    
 H    3.247200      -4.351000      0.4907000    
 H    3.352900      -2.862400       1.424400    
 H    1.668800      -2.733300      -2.551900    
 H   0.7851000      -3.568300      -1.256100    
 H    2.253500      -4.275200      -1.920300    
 H    1.010500     -0.4478000       3.377500    
 H    2.362400      -1.068200       2.443000    
 H    1.191600      -2.197700       3.151500    
 H   -2.750500      -1.887000       2.353100    
 H   -1.454500      -1.582200       3.509500    
 H   -1.355900      -2.957700       2.390200    
 H   -2.736700      -1.168300      -2.144300    
 H   -3.109200      0.3428000       1.905200    
 H    2.976500       1.329200       1.669400    
 H    1.379100       1.408200      -2.328800    
 H   -4.969500     -0.3120000      -2.646900    
 H   -5.357900       1.138000       1.378800    
 H   -6.300600      0.8334000     -0.8952000    
 H    1.959100       3.514000       2.127600    
 H   0.3582000       3.595800      -1.885400    


%chk=000054717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054717

0 1
I 0.567595 5.830966 0.683513
O -0.560346 -1.031358 -2.042870
O 4.188362 -0.277437 -0.262828
N 2.065467 -1.243705 -0.366795
N -1.094867 -1.083600 1.473464
N -1.578764 -1.110735 0.125961
C 0.715526 -1.229177 0.088666
C 2.690263 -2.542071 -0.812276
C 0.297807 -1.222597 1.416928
C -0.461796 -1.142301 -0.784472
C 3.196107 -3.354415 0.401494
C 1.729401 -3.356045 -1.698367
C 2.923566 -0.143618 -0.205514
C -2.882416 -0.611217 -0.188062
C 1.116940 -1.314725 2.669866
C -1.912643 -1.762987 2.501279
C 2.307525 1.214979 0.014085
C -3.538702 -1.107986 -1.341485
C -3.495790 0.385875 0.613810
C 2.943073 2.095787 0.923927
C 1.198948 1.677468 -0.739567
C -4.813407 -0.608059 -1.681452
C -4.780386 0.860325 0.272916
C -5.445090 0.366564 -0.873659
C 2.454610 3.405007 1.124935
C 0.710718 2.991169 -0.561410
C 1.333225 3.837287 0.382315
H 3.568546 -2.233908 -1.407250
H 2.356525 -3.651103 1.058283
H 3.694443 -4.278033 0.054440
H 3.928135 -2.767697 0.982762
H 1.323889 -2.742341 -2.519380
H 0.878846 -3.757823 -1.117115
H 2.278520 -4.213409 -2.127765
H 0.906677 -0.469310 3.349824
H 2.185826 -1.288323 2.409042
H 0.929443 -2.253825 3.223926
H -2.946689 -1.389737 2.459366
H -1.494664 -1.523852 3.491390
H -1.919909 -2.861132 2.357369
H -3.041732 -1.856094 -1.963484
H -2.954238 0.806098 1.468186
H 3.835044 1.753929 1.459285
H 0.730332 1.033688 -1.492150
H -5.316046 -0.986356 -2.578052
H -5.252226 1.630650 0.892736
H -6.438445 0.743534 -1.139318
H 2.945844 4.073627 1.837384
H -0.137348 3.342121 -1.155881


