%chk=000055719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055719

0 1
 N    1.127800      0.6680000      0.2867000    
 N   0.2336000       1.725900      0.6719000    
 C    1.528600      0.8789000      -1.107600    
 C    2.234000      0.6121000       1.241200    
 C    2.722400      6.2199999E-02  -1.614300    
 C    2.696700     -0.8351000       1.436000    
 C    2.791200      -1.367500      -1.086800    
 C    3.477100      -1.446200      0.2756000    
 C  -0.9117000       1.686300     -0.2201000    
 C   -1.664100      0.3760000     -9.8899998E-02
 C   -1.819400       2.888400      5.0200000E-02
 C   -1.718400     -0.2580000       1.128900    
 C   -2.278500     -0.1537000      -1.219000    
 C   -2.410900      -1.463600       1.240700    
 C   -2.971100      -1.359400      -1.107100    
 C   -3.037300      -2.014200      0.1227000    
 H    1.746100       1.935300      -1.320000    
 H   0.7191000      0.5620000      -1.774900    
 H    1.895800      0.9529000       2.230400    
 H    3.065800       1.270800      0.9616000    
 H    2.665600      2.8400000E-02  -2.710200    
 H    3.655500      0.5897000      -1.379300    
 H    3.332800     -0.8768000       2.329400    
 H    1.827600      -1.468900       1.657700    
 H    1.796500      -1.826700      -1.053000    
 H    3.387400      -1.961300      -1.791000    
 H    4.463000     -0.9681000      0.2153000    
 H    3.665700      -2.501400      0.5099000    
 H   0.7055000       2.627600      0.6015000    
 H  -0.6329000       1.849800      -1.266700    
 H   -2.680700       2.892300     -0.6280000    
 H   -1.279900       3.831700     -9.2500001E-02
 H   -2.211100       2.875100       1.074300    
 H   -1.264000      0.1560000       2.024000    
 H   -2.234100      0.3491000      -2.180600    
 H   -2.467600      -1.970900       2.199300    
 H   -3.459400      -1.787900      -1.977400    
 H   -3.577900      -2.952200      0.2100000    


%chk=000055719-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055719

0 1
N 1.315533 0.881567 0.017118
N 0.251209 1.789903 0.358615
C 2.159758 1.378857 -1.094479
C 2.014149 0.318957 1.202452
C 3.340461 0.445427 -1.456979
C 2.190358 -1.212629 1.076838
C 3.021802 -1.072015 -1.400593
C 3.214751 -1.676235 0.014688
C -0.988878 1.582085 -0.436017
C -1.706266 0.296636 -0.016635
C -1.900679 2.816361 -0.224101
C -1.833143 -0.049415 1.351806
C -2.309249 -0.536625 -0.989044
C -2.553042 -1.200342 1.738852
C -3.032537 -1.690448 -0.606773
C -3.158566 -2.025529 0.760718
H 2.571668 2.398774 -0.864705
H 1.500800 1.493672 -1.978696
H 1.368347 0.540584 2.068390
H 2.998885 0.812312 1.386653
H 3.673884 0.725901 -2.475468
H 4.199349 0.647071 -0.786570
H 2.493160 -1.619474 2.064339
H 1.192766 -1.630566 0.841623
H 1.986907 -1.253057 -1.750554
H 3.699100 -1.603051 -2.098874
H 4.240838 -1.425196 0.359137
H 3.171726 -2.782136 -0.053057
H 0.552649 2.784683 0.331699
H -0.762676 1.505018 -1.526547
H -2.856194 2.684945 -0.759326
H -1.418234 3.739346 -0.600684
H -2.122306 2.947950 0.850155
H -1.344351 0.585573 2.099319
H -2.205727 -0.285841 -2.052958
H -2.641771 -1.457773 2.800947
H -3.489934 -2.328190 -1.372204
H -3.715749 -2.920497 1.060814


