%chk=000005614.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005614

0 1
 O   -3.148300     -5.9300002E-02 -0.2675000    
 N    5.786300      9.7400002E-02  0.9294000    
 N    2.939800     -5.9200000E-02  -2.507000    
 C   -1.797500      -2.542700      2.6500000E-02
 C   -1.896600       2.478900      5.2999998E-03
 C   -1.090700      -1.185900      0.1813000    
 C   -1.159000       1.190700      0.1678000    
 C   -1.816200     -3.1300001E-02  2.2900000E-02
 C  -0.7831000      -3.685300      0.2494000    
 C   -2.390700      -2.660400      -1.394200    
 C   -2.957200      -2.760900       1.024500    
 C  -0.9581000       3.601700     -0.5338000    
 C   -2.484700       2.967600       1.364500    
 C   -3.108100       2.436600     -0.9830000    
 C   0.2512000      -1.196700      0.4758000    
 C   0.2032000       1.218700      0.4668000    
 C   0.9083000      2.5000000E-02  0.6207000    
 C    2.328600      5.4299999E-02  0.9329000    
 C    3.354100      4.7300000E-02  4.5499999E-02
 C    4.695300      7.4699998E-02  0.5342000    
 C    3.123300     -1.1000000E-02  -1.362000    
 H   -1.282000      -4.656300      0.1279000    
 H   2.7000001E-02  -3.683400     -0.4900000    
 H  -0.3682000      -3.693100       1.264700    
 H   -1.633600      -2.440200      -2.156500    
 H   -2.748000      -3.681100      -1.578900    
 H   -3.243700      -2.001400      -1.575600    
 H   -3.359500      -3.778000      0.9458000    
 H   -2.612300      -2.619200       2.055500    
 H   -3.797300      -2.079200      0.8671000    
 H   -1.526400       4.507200     -0.7801000    
 H  -0.2141000       3.921500      0.2037000    
 H  -0.4380000       3.286300      -1.446100    
 H   -1.690200       3.110500       2.106200    
 H   -3.011700       3.921700       1.250400    
 H   -3.189900       2.238400       1.779100    
 H   -3.399300       3.452700      -1.279700    
 H   -2.857700       1.902700      -1.906900    
 H   -4.018800       2.016300     -0.5466000    
 H   0.8577000      -2.082400      0.6111000    
 H   0.7455000       2.146700      0.6148000    
 H   -3.608000      0.2907000      0.5162000    
 H    2.543500      9.1300003E-02   2.000300    


%chk=000005614-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005614

0 1
O -3.219666 -0.087416 -0.035532
N 5.958882 0.398188 0.272857
N 3.227146 -3.109435 0.011042
C -1.742763 -2.551252 -0.077609
C -2.064053 2.671581 0.146351
C -1.066842 -1.157453 0.000310
C -1.223786 1.362420 0.111332
C -1.827639 0.061291 0.026788
C -0.696029 -3.699082 -0.085608
C -2.576730 -2.670170 -1.390572
C -2.661875 -2.768144 1.164349
C -1.159719 3.930207 0.258433
C -3.002308 2.699011 1.398952
C -2.884298 2.841264 -1.175128
C 0.332818 -1.036690 0.051034
C 0.181250 1.401948 0.159890
C 0.987754 0.227416 0.128429
C 2.426045 0.421085 0.178597
C 3.478560 -0.491160 0.158318
C 4.833923 -0.008177 0.219050
C 3.331296 -1.918110 0.077551
H -1.231141 -4.664277 -0.140466
H -0.017998 -3.648197 -0.957225
H -0.080556 -3.715353 0.832561
H -1.927629 -2.550040 -2.277786
H -3.039519 -3.673462 -1.441250
H -3.377114 -1.915731 -1.434408
H -3.122494 -3.772127 1.108800
H -2.073844 -2.715484 2.099511
H -3.467228 -2.019100 1.211212
H -1.796762 4.832491 0.283418
H -0.555328 3.923698 1.183527
H -0.480166 4.027820 -0.607431
H -2.403864 2.623913 2.324354
H -3.561172 3.652220 1.424593
H -3.750736 1.884773 1.440293
H -3.459347 3.784498 -1.138372
H -2.202188 2.886429 -2.042751
H -3.604880 2.027898 -1.381924
H 0.932005 -1.945860 0.030798
H 0.688721 2.368672 0.224018
H -3.670835 0.790535 0.000069
H 2.745011 1.471261 0.242024


