%chk=000048540.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048540

0 1
 O  -0.4745000      -1.826700      -1.628500    
 O   0.3590000       1.125700       1.926700    
 O    3.817300     -0.9498000     -0.2615000    
 N    1.673100      -1.310700      -1.008300    
 N    2.089400      0.1636000      0.7680000    
 C  -0.1564000      0.1209000     -0.2192000    
 C   -1.583200     -0.1040000      0.3021000    
 C   -1.653700      -1.313000       1.258500    
 C   -2.582200     -0.3182000     -0.8543000    
 C  -0.1550000       1.305000      -1.202600    
 C   0.3012000      -1.107700     -0.9989000    
 C   0.7561000      0.5036000      0.9418000    
 C  -0.7642000      -1.179300       2.486700    
 C   -4.002700     -0.6154000     -0.3941000    
 C  -0.5220000       2.572600     -0.5054000    
 C    2.612600     -0.7029000     -0.1843000    
 C   0.2852000       3.636400     -0.4266000    
 H   -1.931500      0.7586000      0.8847000    
 H   -2.674800      -1.418800       1.642200    
 H   -1.425600      -2.253900      0.7457000    
 H   -2.662700      0.6053000      -1.437200    
 H   -2.361400      -1.105900      -1.565800    
 H  -0.7983000       1.147400      -2.073800    
 H   0.8509000       1.411300      -1.635200    
 H  -0.9644000     -0.2695000       3.056900    
 H   -1.038200      -1.993200       3.173000    
 H   0.2944000      -1.357000       2.295500    
 H   -4.694800     -0.5269000      -1.238900    
 H   -4.328500      9.0400003E-02  0.3766000    
 H   -4.101200      -1.634500     -8.2000000E-03
 H    2.020200      -2.037400      -1.628100    
 H    2.743100      0.5236000       1.457600    
 H   -1.523100       2.672500     -9.6199997E-02
 H  -4.9400002E-02   4.544000      6.3900001E-02
 H    1.286600       3.623200     -0.8424000    


%chk=000048540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048540

0 1
O -0.185843 -1.800653 -1.714592
O 0.304128 1.425490 1.881083
O 3.928050 -0.987446 0.275995
N 1.831233 -1.352133 -0.693639
N 2.095421 0.283879 0.983180
C -0.140383 0.116477 -0.162678
C -1.599879 -0.186798 0.373958
C -1.678505 -1.541937 1.142560
C -2.700203 -0.125983 -0.724553
C -0.096794 1.278666 -1.262113
C 0.459570 -1.094914 -0.896232
C 0.729367 0.640975 0.997008
C -0.668097 -1.753288 2.292319
C -4.136875 -0.243979 -0.164000
C -0.600468 2.623658 -0.789108
C 2.708468 -0.699281 0.191622
C 0.077357 3.785378 -0.956334
H -1.800525 0.623869 1.104176
H -2.694526 -1.610374 1.572869
H -1.595592 -2.372148 0.413895
H -2.636314 0.837024 -1.264335
H -2.518884 -0.921082 -1.470966
H -0.699326 0.912997 -2.114931
H 0.942767 1.384905 -1.628721
H -0.705736 -0.925998 3.023477
H -0.897531 -2.692916 2.827702
H 0.375381 -1.841554 1.935038
H -4.875347 -0.030127 -0.958296
H -4.307822 0.477721 0.657985
H -4.355372 -1.254949 0.221589
H 2.245649 -2.105651 -1.252553
H 2.694816 0.728279 1.686403
H -1.586351 2.643366 -0.305767
H -0.340957 4.743048 -0.628773
H 1.070421 3.814777 -1.422869


