%chk=000044664.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044664

0 1
 N  -1.3000000E-03  -1.054300      0.2183000    
 N    3.027800      -1.485500      0.2938000    
 C   -1.225700     -0.4570000      0.1319000    
 C   -1.041600      0.9000000     -3.2800000E-02
 C   -2.529200      -1.164100      0.2338000    
 C   -2.183700       1.847100     -0.1768000    
 C   -3.660900     -0.2394000     -0.2519000    
 C   -3.505600       1.198500      0.2786000    
 C   0.3614000       1.138700     -5.5300001E-02
 C   0.9891000     -0.1016000      0.1052000    
 C   0.2061000      -2.474900      0.4110000    
 C    2.381200     -0.2438000      0.1322000    
 C    1.163400       2.289200     -0.1984000    
 C   0.3083000      -3.224800     -0.9060000    
 C    3.154000      0.9120000     -1.0100000E-02
 C    2.556700       2.159900     -0.1734000    
 H   -2.542000      -2.083200     -0.3607000    
 H   -2.710000      -1.436600       1.280500    
 H   -2.004200       2.758700      0.4038000    
 H   -2.267700       2.138600      -1.230800    
 H   -3.664300     -0.2126000      -1.349400    
 H   -4.627400     -0.6509000      6.0199998E-02
 H   -3.542200       1.177300       1.375500    
 H   -4.347800       1.813800     -5.7599999E-02
 H    1.012100      -2.656900       1.120500    
 H  -0.6730000      -2.857900      0.9448000    
 H   0.7123000       3.269100     -0.3264000    
 H  -0.5943000      -3.093300      -1.511900    
 H   0.4371000      -4.295800     -0.7212000    
 H    1.157300      -2.877800      -1.503100    
 H    4.240200      0.8492000      4.0000002E-03
 H    3.178400       3.044600     -0.2829000    
 H    3.982600      -1.478100      0.6326000    
 H    2.567000      -2.375000      0.2541000    


%chk=000044664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044664

0 1
N -0.008799 -1.114098 0.249422
N 3.123201 -1.472160 0.327520
C -1.256427 -0.461752 0.132098
C -1.058823 0.905250 -0.050061
C -2.595657 -1.146858 0.222927
C -2.195219 1.891878 -0.182307
C -3.701653 -0.179872 -0.284915
C -3.526242 1.247563 0.290491
C 0.368825 1.137339 -0.061947
C 1.012794 -0.139990 0.118973
C 0.142036 -2.561970 0.460654
C 2.434646 -0.251880 0.147542
C 1.139136 2.325540 -0.187302
C 0.362675 -3.358000 -0.848737
C 3.173129 0.953834 0.020306
C 2.539267 2.216199 -0.134518
H -2.619714 -2.081740 -0.373650
H -2.816646 -1.439864 1.272138
H -1.988053 2.805794 0.409459
H -2.298970 2.226262 -1.236565
H -3.660018 -0.129258 -1.391148
H -4.695522 -0.583678 -0.013005
H -3.534282 1.193327 1.397819
H -4.381369 1.882677 -0.010490
H 0.964796 -2.736443 1.176559
H -0.775126 -2.927067 0.955029
H 0.651595 3.296994 -0.320320
H -0.496505 -3.229522 -1.530426
H 0.475934 -4.436880 -0.633329
H 1.261927 -3.012262 -1.390879
H 4.269692 0.900136 0.036838
H 3.164414 3.111991 -0.225595
H 4.140305 -1.440877 0.320033
H 2.698755 -2.357410 0.069487


