%chk=000003424.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003424

0 1
 O  -0.6268000       2.002100       2.108700    
 N    2.938600       1.427700      7.3200002E-02
 C   0.7859000       1.468500      0.3225000    
 C    1.018400       1.500400      -1.040100    
 C    1.940600       1.424700       1.012700    
 C    2.388300       1.474200      -1.181100    
 C   -1.736500      0.9093000      0.3638000    
 C  -0.5507000       1.480900      0.9875000    
 C   -2.081000     -0.4281000      0.5595000    
 C   -1.245700      -1.323000       1.416200    
 C   2.9999999E-02   1.553500      -2.137300    
 C    2.256000       1.379300       2.454000    
 C    3.240200       1.488200      -2.385800    
 C   -2.532100       1.723600     -0.4423000    
 C  -0.1489000      -2.044000      0.6609000    
 C   -3.221100     -0.9511000     -5.0700001E-02
 C   -3.672100       1.200500      -1.052500    
 C   -4.016600     -0.1368000     -0.8567000    
 C  -0.4431000      -2.633600     -0.5556000    
 C    1.122100      -2.096600       1.204700    
 C   0.5672000      -3.297600      -1.251400    
 C    2.132400      -2.760700      0.5089000    
 C    1.854900      -3.361200     -0.7191000    
 H    3.928900       1.400200      0.2751000    
 H   -1.883000      -2.086200       1.885100    
 H  -0.8319000     -0.7631000       2.264100    
 H   0.5300000       1.565000      -3.112900    
 H  -0.6147000      0.6711000      -2.143700    
 H  -0.5608000       2.471200      -2.093500    
 H    2.161300       2.376400       2.896100    
 H    1.581300      0.7025000       2.987000    
 H    3.277900       1.027800       2.631900    
 H    4.305600       1.465700      -2.134100    
 H    3.027300      0.6179000      -3.015100    
 H    3.055500       2.391800      -2.975700    
 H   -2.291000       2.773900     -0.5843000    
 H   -3.511800      -1.987600      9.9500000E-02
 H   -4.294800       1.836100      -1.675100    
 H   -4.906300     -0.5429000      -1.328900    
 H   -1.433400      -2.627500     -0.9938000    
 H    1.347400      -1.642500       2.164400    
 H   0.3505000      -3.769700      -2.205300    
 H    3.134700      -2.811500      0.9242000    
 H    2.641200      -3.879400      -1.260200    


%chk=000003424-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003424

0 1
O -0.071648 0.456719 2.330774
N 2.986784 2.417530 0.128005
C 1.029454 1.344035 0.392851
C 1.383296 1.313914 -1.029169
C 2.064358 2.028071 1.083027
C 2.603919 1.984589 -1.160243
C -1.448365 0.621790 0.358614
C -0.129717 0.766456 1.087717
C -2.275799 -0.535152 0.501709
C -1.809156 -1.778942 1.259177
C 0.651726 0.604995 -2.144133
C 2.245386 2.340376 2.539356
C 3.476484 2.260148 -2.352012
C -1.921692 1.734268 -0.383497
C -0.673670 -2.529671 0.557747
C -3.551316 -0.531173 -0.113228
C -3.202419 1.727582 -0.977064
C -4.022070 0.585668 -0.841571
C -0.866359 -3.095101 -0.730410
C 0.588074 -2.687377 1.184880
C 0.170685 -3.808578 -1.371090
C 1.628821 -3.400663 0.546012
C 1.424386 -3.965648 -0.733341
H 3.831495 2.951632 0.330056
H -2.676401 -2.457479 1.372286
H -1.478918 -1.486230 2.269691
H 1.282716 0.534062 -3.047700
H 0.376848 -0.423646 -1.848061
H -0.285590 1.116883 -2.427641
H 1.266971 2.475755 3.027146
H 2.733133 1.501679 3.071277
H 2.857732 3.250406 2.686987
H 3.583807 3.345103 -2.550368
H 4.494663 1.840308 -2.231549
H 3.040348 1.806867 -3.256843
H -1.279897 2.617957 -0.475609
H -4.189235 -1.417858 -0.010638
H -3.555580 2.602424 -1.534149
H -5.019063 0.563056 -1.296142
H -1.834637 -2.973817 -1.232280
H 0.754230 -2.235721 2.169686
H 0.002393 -4.243393 -2.363417
H 2.597897 -3.512045 1.046132
H 2.229827 -4.520380 -1.228178


