%chk=000050412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050412

0 1
 O    4.009900      0.9012000      0.1342000    
 O   -5.748700     -0.2517000     -0.2285000    
 O   -4.035100      -1.743000      0.1094000    
 N   -2.265700      0.2939000     -0.5758000    
 N   -3.640800      0.4480000     -0.5459000    
 C    5.909100     -0.5034000     -0.2851000    
 C    6.587200      -1.836300      1.9200001E-02
 C    4.597900     -0.3538000      0.4731000    
 C  -0.1308000       1.149400      0.2799000    
 C    2.652100      0.9822000      0.1818000    
 C   -1.632800       1.239200      0.3336000    
 C    7.874400      -2.000100     -0.7729000    
 C   0.5840000       1.938500     -0.6212000    
 C   0.5460000      0.2769000       1.132200    
 C    1.975400       1.855000     -0.6704000    
 C    1.937500      0.1932000       1.083100    
 C   -4.433800     -0.6224000     -0.1932000    
 C   -6.693900      -1.270200      0.1181000    
 C   -8.091900     -0.6964000      2.8500000E-02
 H    5.716500     -0.4130000      -1.361600    
 H    6.575600      0.3297000     -2.9200001E-02
 H    6.810800      -1.904200       1.090200    
 H    5.910600      -2.663800     -0.2241000    
 H    3.947600      -1.192000      0.1905000    
 H    4.781700     -0.3821000       1.553400    
 H   -1.936500       2.268200      9.7300000E-02
 H   -1.965500       1.054200       1.363700    
 H    8.587300      -1.205200     -0.5314000    
 H    8.344200      -2.960500     -0.5384000    
 H    7.679100      -1.971500      -1.849600    
 H   6.8099998E-02   2.621000      -1.291500    
 H   5.0000002E-04 -0.3397000       1.841800    
 H    2.526900       2.471700      -1.374800    
 H    2.426700     -0.4783000       1.782400    
 H   -1.973300      0.4915000      -1.532700    
 H   -4.039500       1.346000     -0.8001000    
 H   -6.500100      -1.615300       1.139700    
 H   -6.594100      -2.112000     -0.5761000    
 H   -8.201600      0.1585000      0.7040000    
 H   -8.294000     -0.3299000     -0.9833000    
 H   -8.841200      -1.449600      0.2876000    


%chk=000050412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050412

0 1
O 3.959171 0.639362 -0.285773
O -5.864481 -0.243498 -0.031956
O -3.952086 -1.502008 0.550399
N -2.461270 0.500115 -0.890034
N -3.852391 0.476556 -0.760550
C 6.048800 -0.568324 -0.124586
C 6.765109 -1.908410 0.164436
C 4.528976 -0.690874 0.001818
C -0.235690 1.281201 -0.191176
C 2.563421 0.779145 -0.236126
C -1.733377 1.545947 -0.134739
C 8.299357 -1.793583 0.037052
C 0.681923 2.315677 -0.506907
C 0.272003 -0.009794 0.093613
C 2.069341 2.074890 -0.526818
C 1.659276 -0.270157 0.073074
C -4.477872 -0.522927 -0.022861
C -6.706243 -1.227276 0.701692
C -8.153520 -0.770390 0.542939
H 6.298304 -0.219450 -1.144986
H 6.405896 0.209501 0.577419
H 6.503890 -2.255149 1.185082
H 6.393979 -2.685361 -0.534908
H 4.128316 -1.431677 -0.722071
H 4.239690 -1.006182 1.026573
H -1.944503 2.579069 -0.502617
H -2.100017 1.492860 0.908592
H 8.700918 -1.046889 0.747419
H 8.794580 -2.759511 0.244884
H 8.589107 -1.476345 -0.982186
H 0.309082 3.321381 -0.737629
H -0.436623 -0.813635 0.322521
H 2.784609 2.867352 -0.767447
H 2.018765 -1.278489 0.298311
H -2.133229 0.339931 -1.848596
H -4.446249 1.236838 -1.115046
H -6.385903 -1.247837 1.759491
H -6.532666 -2.230831 0.272167
H -8.297478 0.238641 0.966206
H -8.444472 -0.746847 -0.521333
H -8.826644 -1.469121 1.072556


