%chk=000053048.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053048

0 1
 O  -0.8108000       1.783400      0.5120000    
 N  -0.2202000     -0.4744000      0.6623000    
 C    1.654700       1.139000      0.3860000    
 C    2.096300      -1.343600      0.5049000    
 C    2.511100     -8.9500003E-02  -1.647900    
 C    4.027300      0.2751000      0.3322000    
 C    1.162900     -0.2039000      0.9704000    
 C    1.602800       1.050600      -1.151800    
 C    3.109900       1.410500      0.8167000    
 C    2.042600      -1.421200      -1.033400    
 C    3.548800      -1.056500      0.9348000    
 C    3.956800      0.1891000      -1.202200    
 C  -0.6013000      -1.889400      0.5893000    
 C   -1.111700      0.5918000      0.4539000    
 C   -2.513300      0.2896000      0.1227000    
 C   -3.438400      0.1478000       1.145400    
 C   -2.883900      0.1527000      -1.206100    
 C   -4.767000     -0.1383000      0.8317000    
 C   -4.212600     -0.1335000      -1.519900    
 C   -5.154100     -0.2789000     -0.5009000    
 H    1.146000       2.022300      0.7645000    
 H    1.827300      -2.313800      0.9329000    
 H    2.469700     -0.1489000      -2.741300    
 H    5.058600      0.4735000      0.6446000    
 H    1.213400     -0.1426000       2.066000    
 H    1.944400       2.000800      -1.582600    
 H   0.5871000      0.8980000      -1.529300    
 H    3.166500       1.494000       1.909200    
 H    3.453300       2.368000      0.4052000    
 H    1.060700      -1.646800      -1.447100    
 H    2.701000      -2.230200      -1.376300    
 H    4.205500      -1.872400      0.6085000    
 H    3.611000      -1.015400       2.029200    
 H    4.620600     -0.6058000      -1.563800    
 H    4.312300       1.126800      -1.646800    
 H  -0.3141000      -2.365300     -0.3439000    
 H   -1.686000      -2.001400      0.6576000    
 H  -0.1981000      -2.425400       1.453800    
 H   -3.144600      0.2555000       2.185800    
 H   -2.156100      0.2638000      -2.005100    
 H   -5.500100     -0.2518000       1.624900    
 H   -4.514000     -0.2432000      -2.557500    
 H   -6.188500     -0.5018000     -0.7453000    


%chk=000053048-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053048

0 1
O -0.933876 1.272347 1.670107
N -0.258810 -0.618766 0.458828
C 1.599761 1.087724 0.112435
C 2.207430 -1.354732 0.383345
C 2.813804 -0.126357 -1.760795
C 4.036091 0.422463 0.395054
C 1.170178 -0.260966 0.779724
C 1.732817 0.934717 -1.424433
C 2.969387 1.501372 0.717189
C 2.370223 -1.485041 -1.158934
C 3.580857 -0.937728 0.989147
C 4.177851 0.292605 -1.145835
C -0.617155 -2.049629 0.310190
C -1.230827 0.286103 0.917069
C -2.655132 0.109782 0.447348
C -3.702942 0.443418 1.342338
C -2.971920 -0.251598 -0.888673
C -5.048123 0.382840 0.920787
C -4.317423 -0.295439 -1.315338
C -5.359601 0.011832 -0.409164
H 0.852063 1.858889 0.357342
H 1.917830 -2.332838 0.813627
H 2.916415 -0.224035 -2.859929
H 5.009984 0.710804 0.837913
H 1.221263 -0.112207 1.881332
H 2.005157 1.913735 -1.867210
H 0.758999 0.639240 -1.863623
H 2.873469 1.636444 1.813000
H 3.278516 2.478544 0.295537
H 1.426590 -1.807473 -1.639763
H 3.126012 -2.266722 -1.376504
H 4.331815 -1.721083 0.762453
H 3.505029 -0.865539 2.092652
H 4.953280 -0.459740 -1.396556
H 4.507929 1.259153 -1.576963
H -0.145406 -2.500952 -0.577666
H -1.706904 -2.149690 0.212147
H -0.305330 -2.627335 1.203701
H -3.443162 0.764920 2.356371
H -2.162672 -0.468443 -1.595564
H -5.851620 0.632796 1.622465
H -4.552150 -0.559662 -2.352531
H -6.403896 -0.025453 -0.739317


