%chk=000045181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045181

0 1
 N    5.607100      -1.204300     -0.4653000    
 N   -5.584100       1.201200     -0.4551000    
 N    5.511600       1.149500     -0.5999000    
 N   -5.540100      -1.153600     -0.6012000    
 C   3.9999999E-04  3.7799999E-02 -0.1284000    
 C    1.263700      2.0700000E-02  0.7351000    
 C   -1.263300      3.8999999E-03  0.7337000    
 C    2.527000      2.1000000E-02 -0.1301000    
 C   -2.525600     -1.2900000E-02 -0.1329000    
 C    3.810600      3.0500000E-02  0.6994000    
 C   -3.808800     -7.7799998E-02  0.6946000    
 C    5.051600      1.3300000E-02 -0.1733000    
 C   -5.050200     -2.9300001E-02 -0.1765000    
 H   6.8999999E-03 -0.8270000     -0.8032000    
 H  -5.5000000E-03  0.9375000     -0.7555000    
 H    1.261700     -0.8687000       1.376700    
 H    1.270200      0.8967000       1.394900    
 H   -1.283200      0.8782000       1.395300    
 H   -1.248900     -0.8868000       1.373500    
 H    2.517800      0.8956000     -0.7928000    
 H    2.523900     -0.8604000     -0.7838000    
 H   -2.493100     -0.8719000     -0.8150000    
 H   -2.545300      0.8828000     -0.7666000    
 H    3.833500     -0.8384000       1.367500    
 H    3.841600      0.9271000       1.330000    
 H   -3.842400      0.7651000       1.395500    
 H   -3.823600     -0.9940000       1.296500    
 H    5.210000      -2.071000     -0.1184000    
 H    6.435100      -1.277600      -1.046600    
 H   -5.168300       2.057900     -0.1051000    
 H   -6.415100       1.292000      -1.029500    
 H    6.343100      0.9734000      -1.174400    
 H   -4.978100      -1.945300     -0.2722000    


%chk=000045181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045181

0 1
N 5.450014 -1.146265 -0.763317
N -5.625734 1.127832 -0.564365
N 5.897982 1.141271 -0.091029
N -5.721554 -1.200044 -0.478122
C 0.021239 -0.011377 -0.130689
C 1.311676 0.024758 0.718668
C -1.268413 0.030649 0.719839
C 2.599628 -0.021342 -0.133464
C -2.556175 -0.017994 -0.132304
C 3.883563 0.020829 0.737579
C -3.845647 0.017389 0.732928
C 5.170358 0.043835 -0.077601
C -5.118376 -0.085853 -0.114508
H 0.017577 -0.929147 -0.755355
H 0.024190 0.844718 -0.836866
H 1.307818 -0.829170 1.428650
H 1.318651 0.944888 1.338839
H -1.268037 0.951742 1.339770
H -1.266534 -0.822660 1.430245
H 2.615411 0.838155 -0.831872
H 2.587005 -0.935968 -0.761844
H -2.557737 -0.939316 -0.748006
H -2.563064 0.833472 -0.841612
H 3.889327 -0.847038 1.428862
H 3.883837 0.937187 1.350013
H -3.852342 0.945426 1.339525
H -3.827749 -0.829208 1.445048
H 4.826606 -1.948171 -0.698486
H 6.273856 -1.228223 -1.356053
H -5.221063 2.015555 -0.284754
H -6.447474 1.112465 -1.165604
H 6.749192 1.062745 -0.690110
H -5.247831 -2.035939 -0.087103


