%chk=000044581.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044581

0 1
 O    3.037100       2.506700      0.5992000    
 N   -2.189400      0.9175000     -0.6014000    
 N    1.313500      0.9574000      0.5224000    
 N    6.398400      -2.758400     -0.5169000    
 C   0.2350000       1.894700      0.7428000    
 C  -0.9211000       1.237500       1.500400    
 C  -0.2680000       2.478500     -0.5795000    
 C   -1.706100      0.2600000      0.6201000    
 C   -1.075200       1.459700      -1.390300    
 C   -2.980700     -1.3700000E-02  -1.405300    
 C   -4.181600     -0.5233000     -0.6537000    
 C    2.641500       1.351300      0.4689000    
 C   -4.071000      -1.677200      0.1097000    
 C   -5.382600      0.1676000     -0.7351000    
 C    3.628100      0.2714000      0.2087000    
 C   -5.183700      -2.149600      0.8058000    
 C   -6.495300     -0.3047000     -3.8899999E-02
 C    4.822800      0.5934000     -0.4011000    
 C    3.318500      -1.018900      0.5861000    
 C   -6.395800      -1.463400      0.7315000    
 C    5.749600     -0.4204000     -0.6443000    
 C    4.245300      -2.032600      0.3429000    
 C    5.460900      -1.733400     -0.2723000    
 H   0.6313000       2.713500       1.355700    
 H   -1.602700       2.020000       1.859900    
 H  -0.5458000      0.7111000       2.386600    
 H   0.5702000       2.843200      -1.185200    
 H  -0.9056000       3.346700     -0.3665000    
 H   -1.092500     -0.6193000      0.3870000    
 H   -2.531800     -6.5499999E-02   1.258200    
 H   -1.465500       1.969400      -2.279800    
 H  -0.4153000      0.6559000      -1.742100    
 H   -2.373200     -0.8632000      -1.748100    
 H   -3.331000      0.4859000      -2.318700    
 H    1.055900      4.9000001E-03  0.2884000    
 H   -3.138700      -2.232000      0.1651000    
 H   -5.470800       1.072000      -1.330400    
 H   -5.107400      -3.053600       1.402800    
 H   -7.439000      0.2296000     -9.6500002E-02
 H    5.060900       1.609500     -0.7013000    
 H    2.400100      -1.287300       1.097800    
 H   -7.262400      -1.831600       1.272800    
 H    6.693000     -0.1747000      -1.125400    
 H    4.012300      -3.050800      0.6444000    
 H    6.188500      -3.710800     -0.2492000    
 H    7.279100      -2.542500     -0.9648000    


%chk=000044581-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044581

0 1
O 2.869004 2.593648 -0.039193
N -2.178131 0.642630 -0.576824
N 1.340881 0.931663 0.490388
N 6.879687 -2.491549 -0.278498
C 0.219540 1.885720 0.636931
C -0.910240 1.252083 1.480908
C -0.346180 2.325987 -0.740900
C -1.653625 0.138638 0.713144
C -1.091839 1.175393 -1.440517
C -3.017752 -0.358399 -1.275911
C -4.336597 -0.643595 -0.561794
C 2.622324 1.358310 0.172874
C -4.875907 -1.953131 -0.539274
C -5.066901 0.407861 0.048525
C 3.691116 0.309436 0.084654
C -6.125115 -2.209890 0.072334
C -6.311963 0.154174 0.664583
C 4.919573 0.671787 -0.529777
C 3.564931 -1.012026 0.592323
C -6.847921 -1.155874 0.676520
C 5.973385 -0.244876 -0.656534
C 4.613853 -1.941439 0.478091
C 5.837885 -1.575050 -0.156518
H 0.631607 2.776313 1.145041
H -1.639141 2.044129 1.732290
H -0.503835 0.852324 2.429609
H 0.483034 2.691744 -1.371528
H -1.049242 3.165475 -0.579153
H -0.974670 -0.746242 0.551150
H -2.500807 -0.229015 1.318838
H -1.543357 1.538884 -2.382510
H -0.359319 0.370832 -1.714094
H -2.472652 -1.324759 -1.438522
H -3.234083 0.050290 -2.283960
H 1.135959 -0.066156 0.547447
H -4.315747 -2.776486 -1.000942
H -4.634651 1.414810 0.040204
H -6.529560 -3.228609 0.082191
H -6.865836 0.975642 1.133845
H 5.018370 1.698375 -0.898148
H 2.655849 -1.328248 1.119378
H -7.814624 -1.352803 1.153869
H 6.909999 0.058814 -1.140096
H 4.497434 -2.952159 0.888164
H 6.788547 -3.437838 0.079327
H 7.756521 -2.226317 -0.717536


