%chk=000063575.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063575

0 1
 O    1.028800       1.580900       1.253100    
 N   0.6506000     -0.6163000      0.5716000    
 N   -1.559100     -0.1459000     -7.9599999E-02
 N    2.384500      -1.891600     -0.4385000    
 C  -0.7354000     -0.6000000       1.012800    
 C    2.820100      0.4218000      0.2674000    
 C   -2.939700     -4.7499999E-02 -1.1900000E-02
 C    1.423800      0.5344000      0.7481000    
 C    3.241300     -0.7860000     -0.3053000    
 C   -3.703900      0.4039000      -1.105700    
 C    1.173400      -1.757600     -8.7000001E-03
 C    3.698500       1.504000      0.3852000    
 C   -3.617300     -0.4006000       1.170700    
 C    4.560400     -0.8926000     -0.7595000    
 C   -5.092900      0.4987000      -1.019200    
 C   -3.032700      0.7903000      -2.383400    
 C    5.009600       1.380900     -7.2400004E-02
 C   -5.006200     -0.3058000       1.257100    
 C    5.440400      0.1850000     -0.6439000    
 C   -5.744100      0.1440000      0.1621000    
 H   -1.015500      -1.617400       1.309500    
 H  -0.8326000      6.6600002E-02   1.877000    
 H   -1.089800      0.1140000     -0.9383000    
 H   0.4603000      -2.592500     -9.2799999E-02
 H    3.381600       2.444200      0.8275000    
 H   -3.085700     -0.7546000       2.050000    
 H    4.911900      -1.818900      -1.207800    
 H   -5.683400      0.8470000      -1.862500    
 H   -2.488700     -6.1299998E-02  -2.805300    
 H   -3.755200       1.118300      -3.138900    
 H   -2.339200       1.621400      -2.217600    
 H    5.696100       2.217800      1.6400000E-02
 H   -5.513900     -0.5816000       2.176800    
 H    6.462200      9.0800002E-02 -0.9999000    
 H   -6.825600      0.2179000      0.2296000    


%chk=000063575-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063575

0 1
O 0.900036 2.243276 0.072750
N 0.361653 0.305230 1.270556
N -1.833675 1.227095 0.590367
N 1.781070 -1.644247 1.355608
C -0.928107 0.979808 1.679541
C 2.467332 0.365613 0.051151
C -2.686886 0.265446 0.007633
C 1.228268 1.066758 0.428123
C 2.701672 -0.969391 0.525273
C -3.409637 0.624342 -1.178221
C 0.682139 -0.989252 1.679399
C 3.426390 1.006125 -0.777118
C -2.874444 -1.024692 0.575111
C 3.899671 -1.638653 0.151723
C -4.295549 -0.319041 -1.742932
C -3.225748 1.995428 -1.804565
C 4.604881 0.332203 -1.135330
C -3.771088 -1.944560 -0.008807
C 4.838772 -0.993451 -0.669013
C -4.489326 -1.599813 -1.173554
H -1.388485 0.348251 2.457512
H -0.641037 1.947499 2.121666
H -1.601798 2.051397 0.034377
H -0.053089 -1.477942 2.328650
H 3.217609 2.024535 -1.120792
H -2.326139 -1.325392 1.473888
H 4.057276 -2.655800 0.522347
H -4.846419 -0.040391 -2.649777
H -2.175529 2.177520 -2.111813
H -3.850181 2.099413 -2.707270
H -3.511444 2.809039 -1.108008
H 5.345804 0.823549 -1.774595
H -3.898919 -2.932922 0.447075
H 5.759881 -1.513715 -0.953649
H -5.182353 -2.311563 -1.633605


