%chk=000072807.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072807

0 1
 O  -0.6967000      -2.763900     -8.6599998E-02
 O  -0.7272000       2.699000     -0.1903000    
 N   -1.759100     -0.7191000     -1.7100001E-02
 N   -1.706200      0.6509000      0.2202000    
 N    1.184200     -4.2900000E-02 -0.5471000    
 C   -3.153200      -1.145800     -4.4000000E-02
 C   -2.971100       1.053600      0.8143000    
 C   -3.964100      0.1265000      0.1377000    
 C   0.6219000     -0.8615000      0.5302000    
 C   0.2248000      0.7901000      -1.276100    
 C    2.306500      0.7487000     -4.1299999E-02
 C  -0.6592000      -1.546200      9.4300002E-02
 C  -0.7632000       1.479000     -0.3542000    
 C    3.468700     -0.1291000      0.4539000    
 C    3.951700      -1.035500     -0.6817000    
 C    4.642300      0.6964000      0.9876000    
 H   -3.310000      -1.852100      0.7785000    
 H   -3.364400      -1.656800     -0.9881000    
 H   -3.183300       2.109800      0.6278000    
 H   -2.913000      0.8739000       1.893200    
 H   -4.237200      0.5295000     -0.8452000    
 H   -4.882300     -2.2500001E-02  0.7118000    
 H   0.4260000     -0.2868000       1.444700    
 H    1.309200      -1.670700      0.8008000    
 H  -0.3279000      0.1778000      -1.999800    
 H   0.7308000       1.548900      -1.885900    
 H    1.979800       1.418700      0.7652000    
 H    2.694700       1.393500     -0.8414000    
 H    3.144300     -0.7590000       1.289600    
 H    4.267100     -0.4500000      -1.552200    
 H    4.809100      -1.635200     -0.3562000    
 H    3.176300      -1.737100      -1.004800    
 H    5.059100       1.342700      0.2078000    
 H    5.443500      4.6500001E-02   1.355100    
 H    4.318600       1.333300       1.817600    


%chk=000072807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072807

0 1
O -0.964345 -2.884255 -0.022036
O -0.801114 2.725198 -0.425431
N -1.798610 -0.734928 -0.017788
N -1.659098 0.667262 0.229970
N 1.207187 -0.134974 -0.559086
C -3.237750 -1.114371 -0.071088
C -2.904350 1.140645 0.870699
C -3.983371 0.220124 0.229367
C 0.609197 -1.033621 0.471128
C 0.224973 0.644768 -1.355271
C 2.304743 0.692944 0.009666
C -0.751336 -1.642353 0.113571
C -0.780883 1.462982 -0.519928
C 3.536926 -0.135592 0.456603
C 4.113115 -0.964911 -0.712321
C 4.601513 0.811729 1.057479
H -3.422076 -1.899993 0.682252
H -3.495698 -1.528597 -1.060440
H -3.030789 2.210830 0.647333
H -2.848435 1.001011 1.965546
H -4.352450 0.672390 -0.706480
H -4.842746 0.063481 0.900403
H 0.472694 -0.483904 1.439164
H 1.286465 -1.883254 0.653989
H -0.332931 -0.047372 -2.013591
H 0.773870 1.355638 -1.992091
H 1.947875 1.303304 0.878600
H 2.628431 1.403124 -0.775546
H 3.221835 -0.834515 1.259077
H 4.515056 -0.298270 -1.500089
H 4.936734 -1.617866 -0.368548
H 3.330487 -1.593461 -1.172076
H 4.960301 1.532285 0.297417
H 5.476339 0.239699 1.416825
H 4.198743 1.389423 1.911019


