%chk=000005174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005174

0 1
 O    1.379800       2.041600     -8.1799999E-02
 N  -0.8432000       2.455300     -3.9000001E-02
 N    3.189400      -2.601900     -1.3800000E-02
 C  -0.6167000       1.106400     -1.1500000E-02
 C   0.7273000      0.8467000     -3.7300002E-02
 C   -1.660000      0.1212000      3.6899999E-02
 C    1.560900     -0.3207000     -2.9400000E-02
 C   0.3710000       2.955400     -7.9899997E-02
 C   -2.138100     -0.3286000       1.267700    
 C   -2.195600     -0.3862000      -1.147000    
 C    1.109200      -1.514000     -0.5918000    
 C    2.832400     -0.2761000      0.5410000    
 C   0.7802000       4.367500     -0.1244000    
 C   -3.151400      -1.285900       1.314700    
 C   -3.209000      -1.343600      -1.099800    
 C   -3.686900      -1.793300      0.1311000    
 C    1.952300      -2.613100     -0.5589000    
 C    3.598400      -1.430600      0.5233000    
 H   -1.731300      5.6899998E-02   2.199700    
 H   -1.835700     -4.4900000E-02  -2.114900    
 H   0.1507000      -1.618500      -1.079900    
 H    3.231200      0.6238000      0.9984000    
 H    1.401200       4.615300      0.7415000    
 H    1.353600       4.573000      -1.033200    
 H  -9.3999997E-02   5.025200     -0.1167000    
 H   -3.523500      -1.636300       2.273000    
 H   -3.626300      -1.738700      -2.021400    
 H   -4.475900      -2.538800      0.1678000    
 H    1.647400      -3.560600     -0.9911000    
 H    4.593100      -1.444100      0.9565000    


%chk=000005174-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005174

0 1
O 1.442734 2.007127 -0.087346
N -0.784364 2.340262 -0.430745
N 3.524520 -2.603852 0.501498
C -0.569041 0.953836 -0.175940
C 0.801436 0.733315 0.011079
C -1.731871 0.050287 -0.096921
C 1.700681 -0.405905 0.188660
C 0.403125 2.923781 -0.366949
C -1.752458 -1.088603 0.754170
C -2.893701 0.360508 -0.855813
C 1.351364 -1.723135 -0.223095
C 2.998127 -0.221578 0.745591
C 0.768153 4.356695 -0.542199
C -2.895990 -1.911916 0.819264
C -4.033767 -0.466926 -0.791852
C -4.038858 -1.610410 0.041219
C 2.280865 -2.768293 -0.045762
C 3.856584 -1.331858 0.880232
H -0.887651 -1.314169 1.387030
H -2.887011 1.257980 -1.482182
H 0.385446 -1.930017 -0.691277
H 3.325941 0.772132 1.062823
H 1.243057 4.762460 0.368866
H 1.481424 4.488138 -1.375352
H -0.143764 4.933517 -0.756062
H -2.899959 -2.781384 1.485955
H -4.919236 -0.218502 -1.387297
H -4.925349 -2.252115 0.093121
H 2.032544 -3.788134 -0.360521
H 4.857519 -1.210842 1.309604


