%chk=000031106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031106

1 1
 O   -3.220200      -1.557900      0.8419000    
 N    1.180300     -0.6110000      0.6736000    
 N   -1.583500     -0.3547000     -0.2826000    
 N    1.936400       1.227400       1.503000    
 C   0.3057000      -1.758200      0.4450000    
 C   -4.477300       1.228000     -0.3833000    
 C  -0.7390000      -1.475700     -0.6247000    
 C    2.359100     -0.3629000      1.3400000E-02
 C   -3.432400      0.8507000      0.6775000    
 C    2.851200      0.8293000      0.5499000    
 C   0.9327000      0.3462000       1.564800    
 C   -2.765800     -0.4941000      0.4299000    
 C   -5.568600      0.1603000     -0.4956000    
 C   -3.800600       1.418300      -1.742300    
 C    3.024400      -1.063400     -0.9858000    
 C    4.042900       1.404300      0.1245000    
 C    4.228800     -0.4956000      -1.425500    
 C    4.725800      0.7090000     -0.8836000    
 H  -0.1806000      -2.000400       1.398100    
 H   0.9119000      -2.627200      0.1681000    
 H   -4.941100       2.176300     -8.5600004E-02
 H  -0.2551000      -1.229000      -1.575300    
 H   -1.363000      -2.362200     -0.7788000    
 H   -2.670500       1.636200      0.7549000    
 H   -3.911100      0.7956000       1.663300    
 H   8.2699999E-02  0.4115000       2.224600    
 H   -1.277700      0.5694000     -0.5723000    
 H    2.012100       2.064900       2.073800    
 H   -6.360500      0.4977000      -1.173400    
 H   -6.026600     -3.2200001E-02  0.4802000    
 H   -5.184000     -0.7865000     -0.8881000    
 H   -4.519600       1.814100      -2.468300    
 H   -2.975000       2.134400      -1.674300    
 H   -3.413900      0.4793000      -2.150700    
 H    2.638500      -1.985600      -1.400800    
 H    4.413200       2.328600      0.5484000    
 H    4.796500     -0.9963000      -2.206800    
 H    5.665300       1.108300      -1.259500    


%chk=000031106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031106

1 1
O -2.096413 -0.441946 1.071476
N 1.042392 -0.795173 0.474339
N -1.425042 0.091353 -1.093177
N 1.804688 0.661188 1.961638
C 0.125632 -1.744526 -0.202894
C -4.569715 1.201033 -0.413760
C -0.658112 -1.133841 -1.391001
C 2.351691 -0.438854 0.058635
C -3.094515 1.541737 0.004575
C 2.843688 0.497184 1.016973
C 0.743930 -0.118363 1.613883
C -2.181605 0.322698 0.050050
C -5.269683 0.288556 0.618680
C -4.651768 0.609721 -1.840739
C 3.138237 -0.855876 -1.034575
C 4.132244 1.058176 0.918910
C 4.427507 -0.295552 -1.134219
C 4.914479 0.643929 -0.177775
H -0.580683 -2.116046 0.551329
H 0.730934 -2.588055 -0.578555
H -5.096110 2.177012 -0.420873
H 0.030717 -0.895539 -2.221034
H -1.332724 -1.940707 -1.744833
H -2.692777 2.303945 -0.691604
H -3.112636 1.978086 1.018953
H -0.219354 -0.190110 2.120007
H -1.574838 0.727102 -1.879927
H 1.831540 1.263448 2.785501
H -6.321473 0.118950 0.326433
H -5.265767 0.742393 1.626055
H -4.771872 -0.694510 0.695110
H -5.706744 0.499481 -2.147619
H -4.158611 1.261593 -2.588233
H -4.189972 -0.394806 -1.890679
H 2.781248 -1.580421 -1.771951
H 4.514836 1.774231 1.651645
H 5.074722 -0.590148 -1.965617
H 5.923331 1.049556 -0.297525


