%chk=000051009.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051009

0 1
 O   -1.006500     -0.7531000      0.3815000    
 O    4.387800      0.1118000     -0.3479000    
 N   -4.095800       1.145100     -0.2874000    
 N   -5.354100      0.7351000     -0.8181000    
 C   -3.246200     -3.8400002E-02 -0.1662000    
 C   -1.854300      0.3863000      0.3033000    
 C   -3.884700      -1.047300      0.7889000    
 C   0.3343000     -0.5383000      0.1999000    
 C   0.8919000      0.6811000      0.5680000    
 C    1.124200      -1.541400     -0.3507000    
 C    3.055500     -0.1011000     -0.1688000    
 C    2.256800      0.9004000      0.3828000    
 C    2.489300      -1.322000     -0.5357000    
 C    4.901800       1.381800      5.0500002E-02
 H   -3.131300     -0.5288000      -1.143300    
 H   -1.465300       1.118500     -0.4180000    
 H   -1.913400      0.8550000       1.294000    
 H   -3.231100      -1.914600      0.9339000    
 H   -4.836200      -1.438400      0.4129000    
 H   -4.064600     -0.6045000       1.775500    
 H   -3.667700       1.817600     -0.9231000    
 H   0.3110000       1.475600       1.026300    
 H   0.6870000      -2.493500     -0.6378000    
 H    2.632900       1.868800      0.6952000    
 H    3.106600      -2.106100     -0.9656000    
 H   -5.979400       1.539600     -0.8404000    
 H   -5.236800      0.4466000      -1.789100    
 H    5.975400       1.377800     -0.1643000    
 H    4.792000       1.540000       1.128700    
 H    4.461700       2.195900     -0.5354000    


%chk=000051009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051009

0 1
O -1.024238 -0.653791 -0.369984
O 4.563988 -0.033158 0.040110
N -4.290763 1.066011 -0.331635
N -5.661543 0.748001 -0.509847
C -3.378249 -0.114620 -0.288624
C -1.958374 0.448121 -0.106420
C -3.766738 -1.067542 0.850498
C 0.350797 -0.384789 -0.234546
C 0.897408 0.864774 0.134641
C 1.213599 -1.480257 -0.500911
C 3.157321 -0.071499 -0.028823
C 2.302928 1.021717 0.238055
C 2.603734 -1.325515 -0.399141
C 5.178491 1.237734 0.421317
H -3.389542 -0.683956 -1.249875
H -1.763845 1.276829 -0.824494
H -1.829094 0.831298 0.925785
H -3.078204 -1.930008 0.874510
H -4.799089 -1.424778 0.702453
H -3.718388 -0.540236 1.821081
H -3.946526 1.780457 -0.996149
H 0.253748 1.723294 0.347832
H 0.771594 -2.440208 -0.784503
H 2.704546 1.997721 0.526702
H 3.282126 -2.159875 -0.600863
H -6.291830 1.256857 0.108046
H -6.003834 0.567751 -1.460492
H 6.262271 1.048675 0.414109
H 4.862653 1.551898 1.435993
H 4.935851 2.038594 -0.305225


