%chk=000021855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021855

0 1
 N    4.545500       1.117900      0.1616000    
 N   -2.738000       1.814700     -0.8121000    
 C   4.6000001E-03 -0.3432000     -0.7025000    
 C    1.288800     -0.6770000     -0.4612000    
 C    1.419400      -2.027900      0.2150000    
 C  -0.5709000      0.8700000      -1.337500    
 C  -0.8358000      -1.437800     -0.2111000    
 C  -1.4400000E-02  -2.435100      0.3309000    
 C    2.524300      9.4800003E-02 -0.7711000    
 C    3.337600      0.3695000      0.4909000    
 C   -1.291100      0.5354000      -2.653300    
 C   -2.214000      -1.588000     -0.2194000    
 C   -1.479500       1.641100     -0.3899000    
 C  -0.5425000      -3.594800      0.8720000    
 C   -2.758800      -2.754900      0.3242000    
 C   -1.929600      -3.750300      0.8656000    
 C  -0.9521000       2.087900      0.7944000    
 C    5.367100      0.3746000     -0.7951000    
 C    5.315200       1.412000       1.371400    
 C   -1.807800       2.788500       1.637300    
 C   -3.540000       2.500100      3.3199999E-02
 C   -3.128000       3.002700       1.256800    
 H    1.865400      -1.949400       1.210100    
 H    1.979300      -2.730000     -0.4099000    
 H   0.2336000       1.565300      -1.608000    
 H    2.293100       1.039600      -1.273900    
 H    3.080900     -0.5156000      -1.490700    
 H    2.722700      0.9530000       1.188600    
 H    3.604000     -0.5660000      0.9986000    
 H  -0.6196000     -1.2600000E-02  -3.325500    
 H   -2.194600     -6.8300001E-02  -2.535900    
 H   -1.582200       1.453700      -3.178100    
 H   -2.889200     -0.8434000     -0.6183000    
 H   9.8300003E-02  -4.363200       1.289900    
 H   -3.836700      -2.893900      0.3306000    
 H   -2.373600      -4.649700       1.283700    
 H   8.0799997E-02   1.925300       1.079400    
 H    6.346100      0.8561000     -0.9105000    
 H    5.544000     -0.6611000     -0.4827000    
 H    4.933900      0.3834000      -1.800000    
 H    4.712200       1.990500       2.080200    
 H    5.660200      0.5012000       1.874200    
 H    6.189900       2.027000       1.132000    
 H   -1.446100       3.168600       2.587900    
 H   -4.559800       2.639800     -0.3099000    
 H   -3.812600       3.546300       1.897700    


%chk=000021855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021855

0 1
N 4.482711 1.162905 0.125857
N -2.697023 1.726947 -0.626365
C -0.029808 -0.498005 -0.695165
C 1.277404 -0.898502 -0.491966
C 1.308942 -2.284909 0.150169
C -0.491166 0.801752 -1.349090
C -0.944651 -1.563487 -0.211551
C -0.158637 -2.643819 0.293524
C 2.549507 -0.159243 -0.827096
C 3.364805 0.241340 0.434603
C -1.182214 0.544343 -2.711776
C -2.357740 -1.640858 -0.184628
C -1.353540 1.633657 -0.385355
C -0.763774 -3.796847 0.818673
C -2.964148 -2.805506 0.343747
C -2.180467 -3.876154 0.840089
C -0.748936 2.287043 0.721868
C 5.534202 0.549072 -0.710629
C 5.046540 1.770348 1.349599
C -1.544292 3.054848 1.596460
C -3.458473 2.473679 0.227264
C -2.933733 3.155132 1.346424
H 1.828568 -2.275091 1.130436
H 1.859829 -3.010537 -0.483208
H 0.415296 1.407790 -1.545719
H 2.341176 0.768232 -1.391334
H 3.180598 -0.796111 -1.480100
H 2.686039 0.761573 1.138073
H 3.726309 -0.685294 0.955289
H -0.483876 0.022367 -3.390310
H -2.087032 -0.071581 -2.596043
H -1.489570 1.497568 -3.176293
H -2.972868 -0.813960 -0.553942
H -0.158227 -4.625030 1.206158
H -4.057511 -2.879956 0.370187
H -2.671903 -4.768932 1.243473
H 0.329859 2.184868 0.885355
H 6.323047 1.295284 -0.912663
H 6.014310 -0.341729 -0.228364
H 5.118220 0.231206 -1.681260
H 4.248525 2.289391 1.910248
H 5.524613 1.026402 2.037476
H 5.811868 2.518036 1.073979
H -1.093448 3.567551 2.453213
H -4.528871 2.519540 -0.006531
H -3.590459 3.741476 1.996824


