%chk=000012907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012907

0 1
 O  -0.7156000       1.297500      0.1325000    
 N   -2.011100       1.102600      0.6342000    
 N   -4.139200       2.058200      0.5414000    
 N   -2.472000       3.070600     -0.6501000    
 C   0.1147000      0.2652000      0.6421000    
 C  -0.4083000      -1.087200      0.2044000    
 C    1.570300      0.4817000      0.2764000    
 C  -0.1991000      -2.186500       1.017900    
 C    2.554300      1.4200000E-02   1.127600    
 C   -1.083500      -1.192000     -0.9986000    
 C    1.877400       1.140600     -0.8997000    
 C  -0.6809000      -3.432000      0.6150000    
 C    3.893300      0.2131000      0.7911000    
 C   -1.565200      -2.437600      -1.401400    
 C    3.216500       1.339300      -1.236100    
 C   -1.363900      -3.557500     -0.5945000    
 C    4.224300      0.8755000     -0.3907000    
 C   -2.812000       2.034300      0.1885000    
 H   4.0800001E-02  0.3350000       1.738200    
 H   0.3258000      -2.101000       1.964500    
 H    2.309800     -0.4985000       2.053000    
 H   -1.234500     -0.3421000      -1.657400    
 H    1.108700       1.501200      -1.576500    
 H  -0.5252000      -4.303800       1.243600    
 H    4.678100     -0.1471000       1.449800    
 H   -2.092500      -2.536700      -2.345800    
 H    3.474600       1.853200      -2.157500    
 H   -1.738200      -4.527400     -0.9087000    
 H    5.266900       1.030000     -0.6530000    
 H   -4.530900       1.352900       1.156100    
 H   -4.765800       2.778000      0.1984000    
 H   -3.157000       3.755100     -0.9511000    
 H   -1.523200       3.177200     -0.9926000    


%chk=000012907-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012907

0 1
O -0.747733 1.218034 0.156110
N -2.072795 1.219364 0.881855
N -4.086887 2.420164 0.848298
N -2.236138 3.289775 -0.356742
C 0.019139 0.050516 0.643310
C -0.483927 -1.263890 0.044995
C 1.478721 0.371271 0.318421
C -0.089219 -2.491390 0.632693
C 2.251416 1.104684 1.253823
C -1.318144 -1.285134 -1.097125
C 2.068026 -0.007946 -0.912549
C -0.514709 -3.721267 0.084349
C 3.590008 1.451704 0.968078
C -1.747657 -2.514744 -1.646811
C 3.405574 0.342338 -1.203970
C -1.346290 -3.737124 -1.060473
C 4.171054 1.071447 -0.264686
C -2.747184 2.286689 0.453697
H -0.108165 0.016630 1.744409
H 0.557515 -2.485042 1.519405
H 1.797034 1.406646 2.205583
H -1.636272 -0.333751 -1.534788
H 1.481131 -0.585866 -1.634756
H -0.202203 -4.663629 0.548860
H 4.178575 2.014319 1.701623
H -2.398190 -2.518859 -2.529221
H 3.851763 0.042905 -2.159170
H -1.680700 -4.690311 -1.485878
H 5.210641 1.337148 -0.488248
H -4.485194 1.607032 1.317393
H -4.399727 3.335665 1.173740
H -2.864566 3.840910 -0.935685
H -1.257497 3.197714 -0.625539


