%chk=000029804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029804

0 1
 N   0.7072000      0.6816000      0.5826000    
 N   -1.313100       1.248100     -0.1508000    
 N    4.447000      -2.338600     -0.4535000    
 C    1.774700     -0.1332000       1.117700    
 C    2.571600     -0.8329000      1.7000001E-02
 C  -0.5748000      0.2758000      0.3360000    
 C   0.8026000       2.003900      0.2318000    
 C    3.684100      -1.695300      0.6094000    
 C  -0.4711000       2.334000     -0.2229000    
 C   -1.026500      -1.105700      0.6013000    
 C    1.861300       2.911900      0.2721000    
 C   -2.489000      -1.353600      0.2566000    
 C  -0.7215000       3.643100     -0.6678000    
 C    1.594300       4.210300     -0.1742000    
 C   0.3266000       4.571400     -0.6364000    
 C    3.586600      -3.220100      -1.244700    
 C    5.571600      -3.092900      0.1029000    
 C   -2.810300      -1.781500      -1.015000    
 C   -3.447200      -1.143200       1.226500    
 C   -4.149700      -2.008800      -1.330900    
 C   -4.786600      -1.370800      0.9105000    
 C   -5.137800      -1.803500     -0.3682000    
 H    2.426700      0.5147000       1.714700    
 H    1.344100     -0.8606000       1.813500    
 H    1.866400      -1.430800     -0.5687000    
 H    2.998000     -8.5699998E-02 -0.6650000    
 H    3.259200      -2.435300       1.300500    
 H    4.347200      -1.047800       1.197100    
 H  -0.8793000      -1.351800       1.661000    
 H  -0.4117000      -1.820700      4.0399998E-02
 H    2.847600       2.635500      0.6270000    
 H   -1.703000       3.933600      -1.028700    
 H    2.389500       4.951700     -0.1618000    
 H   0.1498000       5.588300     -0.9771000    
 H    3.011600      -3.915200     -0.6220000    
 H    4.190000      -3.818800      -1.938100    
 H    2.901900      -2.657000      -1.885900    
 H    5.239900      -3.900800      0.7653000    
 H    6.235800      -2.431600      0.6705000    
 H    6.177600      -3.529700     -0.6988000    
 H   -2.046700      -1.941600      -1.770200    
 H   -3.181900     -0.8044000       2.223400    
 H   -4.423200      -2.345200      -2.326700    
 H   -5.556200      -1.210300       1.659900    
 H   -6.180800      -1.980200     -0.6142000    


%chk=000029804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029804

0 1
N 0.427450 1.085810 1.161334
N -1.520452 2.297215 1.127552
N 3.118065 -2.493742 -1.147529
C 1.355995 -0.049435 1.283357
C 1.700686 -0.702809 -0.076068
C -0.965236 1.095867 1.382733
C 0.778997 2.376135 0.728614
C 2.588747 -1.947441 0.123429
C -0.448124 3.122304 0.717902
C -1.745101 -0.107834 1.839825
C 2.015699 2.951408 0.368939
C -1.877287 -1.211956 0.785750
C -0.444798 4.482353 0.335000
C 1.998404 4.311164 -0.009380
C 0.787640 5.065095 -0.027189
C 2.061701 -3.023273 -2.035940
C 4.180883 -3.492820 -0.909916
C -1.616362 -2.565353 1.112255
C -2.290432 -0.894115 -0.534083
C -1.763849 -3.584722 0.142577
C -2.438309 -1.909534 -1.504184
C -2.174677 -3.259626 -1.170129
H 2.279068 0.308961 1.779555
H 0.898794 -0.801024 1.951432
H 0.755761 -0.971540 -0.580409
H 2.233798 0.016942 -0.724322
H 2.007567 -2.721887 0.695592
H 3.460510 -1.671311 0.751128
H -2.746834 0.275707 2.105687
H -1.307686 -0.529684 2.765652
H 2.950657 2.380913 0.373967
H -1.377145 5.055275 0.326173
H 2.936107 4.798742 -0.298624
H 0.820381 6.117695 -0.329160
H 1.472787 -3.853646 -1.567570
H 2.523302 -3.407247 -2.962958
H 1.355695 -2.224500 -2.316579
H 3.821609 -4.407090 -0.370297
H 4.992264 -3.040239 -0.311848
H 4.608774 -3.815829 -1.875788
H -1.303969 -2.825911 2.131891
H -2.494644 0.152010 -0.792529
H -1.561953 -4.627717 0.412193
H -2.761221 -1.649812 -2.518804
H -2.290764 -4.047201 -1.923130


