%chk=000054738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054738

0 1
 O   -2.964800       2.377800      0.2477000    
 O    1.131200      -2.469800     -0.9039000    
 O    1.262100      -2.408400       1.364500    
 N  -0.8082000     -0.4434000      0.3357000    
 N  -0.7220000       1.788500      9.4700001E-02
 N    1.940100       1.818400     -0.1639000    
 C   -2.203500      6.1700001E-02  0.4154000    
 C   -3.019000     -0.5396000     -0.7217000    
 C   -2.058400       1.560600      0.2454000    
 C   -2.781900     -0.2789000       1.782500    
 C   -2.362500     -0.2483000      -2.070900    
 C   -3.191300      -2.045700     -0.5262000    
 C  -6.2500000E-02  0.6045000      0.1548000    
 C    1.376500      0.5984000      1.9300001E-02
 C    2.111000     -0.5814000      7.4000001E-02
 C    3.492200     -0.5044000     -6.6500001E-02
 C    3.285000       1.853800     -0.2964000    
 C    4.098300      0.7327000     -0.2554000    
 C    1.477900      -1.876600      0.2710000    
 H   -4.018200     -8.4200002E-02 -0.7361000    
 H   -3.850400     -4.2599998E-02   1.834400    
 H   -2.640200      -1.332700       2.044300    
 H   -2.287300      0.3040000       2.569400    
 H   -1.378700     -0.7187000      -2.169500    
 H   -2.985100     -0.6470000      -2.880600    
 H   -2.256800      0.8243000      -2.259900    
 H   -2.231500      -2.562300     -0.4204000    
 H   -3.703100      -2.483800      -1.390900    
 H   -3.808200      -2.276000      0.3477000    
 H  -0.2999000       2.700200     -4.0399998E-02
 H    4.105800      -1.400600     -3.0400001E-02
 H    3.708500       2.842100     -0.4416000    
 H    5.173100      0.8168000     -0.3672000    
 H   0.7010000      -3.339700     -0.7604000    


%chk=000054738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054738

0 1
O -3.020596 2.457522 0.003378
O 0.983178 -2.236017 -1.269738
O 1.699141 -2.835921 0.862684
N -0.797715 -0.430509 0.361912
N -0.723714 1.830533 -0.061128
N 2.020788 1.839449 -0.042586
C -2.213659 0.079782 0.402175
C -3.095003 -0.632227 -0.684313
C -2.103348 1.606435 0.090505
C -2.774583 -0.094280 1.835446
C -2.516964 -0.430497 -2.106052
C -3.284025 -2.135355 -0.378514
C -0.034634 0.610695 0.095420
C 1.438474 0.598308 -0.004098
C 2.197239 -0.605232 -0.003749
C 3.606371 -0.498516 0.049142
C 3.378728 1.918061 -0.039236
C 4.210067 0.777160 0.033801
C 1.584850 -1.976838 -0.037234
H -4.079807 -0.123328 -0.633592
H -3.820078 0.258736 1.870866
H -2.729350 -1.152770 2.136352
H -2.184052 0.491320 2.561640
H -1.519773 -0.898869 -2.197669
H -3.184852 -0.893507 -2.854732
H -2.424705 0.640487 -2.363027
H -2.303209 -2.633448 -0.273342
H -3.834947 -2.620979 -1.204732
H -3.857610 -2.307324 0.548878
H -0.248570 2.719580 -0.228058
H 4.215704 -1.406673 0.089851
H 3.802845 2.926371 -0.089498
H 5.297535 0.887407 0.066424
H 0.545471 -3.129855 -1.238675


