%chk=000013674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013674

0 1
 O    3.137300      0.3028000     -0.7555000    
 N   -1.231100      0.4328000      0.3129000    
 N    2.020100       1.106600     -0.9466000    
 C   -1.290400     -0.5176000     -0.8065000    
 C   -2.514100       1.127900      0.4882000    
 C   -2.384000      -1.563800     -0.5850000    
 C   -3.647600      0.1355000      0.7520000    
 C   -3.740600     -0.9076000     -0.3558000    
 C  -0.1505000       1.397200      0.1086000    
 C    1.189200      0.7270000      8.2999999E-03
 C    1.679100     -0.2804000      0.8273000    
 C    2.922200     -0.5188000      0.3036000    
 C    4.010500      -1.441600      0.6487000    
 H  -0.3541000      -1.071600     -0.9286000    
 H   -1.477400      8.8000000E-03  -1.752400    
 H   -2.754800       1.733900     -0.3953000    
 H   -2.452900       1.810500       1.344600    
 H   -2.127200      -2.186300      0.2816000    
 H   -2.439700      -2.231100      -1.452700    
 H   -4.598900      0.6733000      0.8340000    
 H   -3.479900     -0.3665000       1.713400    
 H   -4.076700     -0.4278000      -1.283200    
 H   -4.486900      -1.666500     -9.6600004E-02
 H  -0.1052000       2.086500      0.9620000    
 H  -0.3364000       2.007800     -0.7857000    
 H    1.219500     -0.7702000       1.673000    
 H    4.920800     -0.8874000      0.8973000    
 H    3.744800      -2.061000       1.511000    
 H    4.231500      -2.107300     -0.1913000    


%chk=000013674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013674

0 1
O 3.288133 0.249447 -0.747857
N -1.240744 0.415486 0.166825
N 2.095166 1.057403 -1.051202
C -1.432023 -0.474741 -1.010467
C -2.507474 1.093228 0.552127
C -2.495361 -1.551142 -0.719247
C -3.603299 0.061543 0.888120
C -3.832770 -0.899923 -0.300172
C -0.142144 1.390959 -0.043095
C 1.207615 0.718234 -0.084965
C 1.735539 -0.267335 0.824916
C 3.020505 -0.535030 0.388433
C 4.120445 -1.436332 0.849336
H -0.462198 -0.946916 -1.250763
H -1.742817 0.119723 -1.910481
H -2.875430 1.761096 -0.272537
H -2.304621 1.735093 1.430565
H -2.128808 -2.202338 0.097804
H -2.631886 -2.183295 -1.617531
H -4.538836 0.592412 1.149796
H -3.285229 -0.518481 1.776046
H -4.249701 -0.331706 -1.157663
H -4.576545 -1.674402 -0.033556
H -0.160001 2.099811 0.807989
H -0.266681 1.995578 -0.975246
H 1.207576 -0.706945 1.666199
H 5.026306 -0.858817 1.107989
H 3.800526 -2.000610 1.739757
H 4.401352 -2.156899 0.060182


