%chk=000052680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052680

0 1
 N   0.9281000     -0.5077000     -0.6385000    
 N    4.132200     -0.8200000      0.1529000    
 C    3.004400     -0.8264000     -0.7434000    
 C    2.098800      0.4007000     -0.5670000    
 C    1.808800      -1.613000     -0.1878000    
 C  -5.8699999E-02 -0.1709000      0.3953000    
 C   -1.266200      -1.099700      0.3295000    
 C  -0.3765000       1.314200      0.4231000    
 C   -2.394500     -0.9319000     -0.5006000    
 C   -1.041800       1.952900     -0.6378000    
 C   -2.668800      0.2287000      -1.435000    
 C   -1.528600       1.163200      -1.821400    
 C    4.962800      0.3642000     -6.8800002E-02
 C    4.926500      -2.037600     -1.4300000E-02
 C   -1.203100      -2.251600       1.151100    
 C   3.3000000E-02   2.084000       1.527200    
 C   -3.423300      -1.902100     -0.4468000    
 C   -1.283300       3.335100     -0.5765000    
 C   -2.225200      -3.198500       1.177700    
 C  -0.2131000       3.456000       1.578000    
 C   -3.341300      -3.021500      0.3779000    
 C  -0.8702000       4.081900      0.5251000    
 H    3.230000      -1.042700      -1.797300    
 H    2.242200      0.9254000      0.3859000    
 H    2.153700       1.132900      -1.379400    
 H    1.619000      -2.568700     -0.6877000    
 H    1.853400      -1.799800      0.8935000    
 H   0.3906000     -0.3535000       1.383900    
 H   -3.059100     -0.1888000      -2.373500    
 H   -3.481100      0.8213000     -0.9916000    
 H   -1.895700       1.852400      -2.593200    
 H  -0.7048000      0.6190000      -2.293900    
 H    4.436500       1.291700      0.1773000    
 H    5.313300      0.4317000      -1.105600    
 H    5.842700      0.3401000      0.5849000    
 H    5.754400      -2.058300      0.7032000    
 H    5.342900      -2.124800      -1.024700    
 H    4.319900      -2.928500      0.1834000    
 H  -0.3426000      -2.420100       1.796000    
 H   0.5540000       1.620800       2.362000    
 H   -4.312600      -1.782400      -1.064100    
 H   -1.802900       3.839400      -1.387600    
 H   -2.146500      -4.067500       1.823900    
 H   0.1106000       4.034200       2.438400    
 H   -4.147200      -3.748700      0.3923000    
 H   -1.063800       5.149800      0.5616000    


%chk=000052680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052680

0 1
N 0.979053 -0.181283 -0.444415
N 4.250823 -1.023338 -0.002886
C 3.040566 -0.685789 -0.766937
C 2.269911 0.597553 -0.315052
C 1.745759 -1.485114 -0.405078
C -0.069639 0.048684 0.595732
C -1.187974 -0.998755 0.466778
C -0.539721 1.504137 0.556354
C -2.224123 -0.981394 -0.516728
C -1.136528 2.054627 -0.614600
C -2.475580 0.108787 -1.566761
C -1.382093 1.173563 -1.825511
C 5.317074 -0.016005 -0.185341
C 4.723345 -2.393359 -0.293755
C -1.153683 -2.067825 1.403971
C -0.357292 2.322034 1.695586
C -3.165739 -2.048426 -0.516572
C -1.523480 3.416244 -0.609112
C -2.097003 -3.114365 1.391753
C -0.756296 3.678236 1.695281
C -3.115823 -3.105167 0.413373
C -1.338569 4.229779 0.533026
H 3.220028 -0.682772 -1.870496
H 2.522929 0.848643 0.739566
H 2.323267 1.501484 -0.943965
H 1.377240 -2.253597 -1.103891
H 1.835510 -1.909182 0.619848
H 0.389348 -0.110974 1.605342
H -2.694140 -0.398573 -2.527763
H -3.411512 0.634440 -1.281986
H -1.706518 1.797884 -2.679620
H -0.442906 0.659574 -2.099320
H 4.942268 0.981464 0.104345
H 5.690666 0.047549 -1.239342
H 6.174011 -0.261997 0.467212
H 5.582971 -2.634080 0.357131
H 5.043839 -2.535166 -1.357659
H 3.918879 -3.119112 -0.080513
H -0.364084 -2.069268 2.165792
H 0.101361 1.891036 2.594454
H -3.963078 -2.037293 -1.271362
H -1.978592 3.842213 -1.512065
H -2.038670 -3.920360 2.131423
H -0.610001 4.295428 2.588722
H -3.862221 -3.906738 0.377703
H -1.646684 5.281473 0.514939


