%chk=000050985.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050985

0 1
 O   -1.434300      0.8329000      0.6264000    
 O    2.585200      -1.792600      0.1758000    
 O    3.877100      0.1383000     -0.4646000    
 N   -4.560200     -0.8953000     -0.2736000    
 N   -5.845900     -0.3665000     -0.6001000    
 C    1.836200     -0.6569000      0.1436000    
 C    2.573900      0.4459000     -0.2220000    
 C  -0.1080000      0.6932000      0.3484000    
 C   0.4908000     -0.5660000      0.4356000    
 C   -2.274400     -0.2877000      0.3572000    
 C    2.006800       1.700200     -0.3159000    
 C   0.6457000       1.819800     -2.5200000E-02
 C   -3.670000      0.2163000      2.6000001E-02
 C    3.877100      -1.281600     -0.2117000    
 H  -4.4599999E-02  -1.456800      0.7439000    
 H   -1.907300     -0.8650000     -0.5022000    
 H   -2.302800     -0.9329000       1.243700    
 H    2.591400       2.566300     -0.6043000    
 H   0.1685000       2.794400     -9.0000004E-02
 H   -4.047000      0.7991000      0.8768000    
 H   -3.604500      0.9117000     -0.8219000    
 H    4.201200      -1.800100      -1.121400    
 H    4.593700      -1.495300      0.5896000    
 H   -4.202800      -1.423900      -1.068600    
 H   -5.795000      0.1233000      -1.493100    
 H   -6.492300      -1.141200     -0.7441000    


%chk=000050985-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050985

0 1
O -1.434387 0.924960 -0.173764
O 2.718528 -1.835976 0.087115
O 4.107900 0.129299 0.063308
N -4.693773 -0.837888 -0.377941
N -6.039639 -0.540117 -0.039919
C 1.921045 -0.665672 0.017211
C 2.730384 0.484830 0.004226
C -0.049897 0.692686 -0.109839
C 0.525211 -0.611115 -0.038498
C -2.327797 -0.243463 -0.163988
C 2.173296 1.765531 -0.065535
C 0.759696 1.857169 -0.122817
C -3.760629 0.300911 -0.230102
C 4.127181 -1.352759 0.150206
H -0.071664 -1.524898 -0.023182
H -2.106046 -0.891102 -1.040518
H -2.186241 -0.836604 0.760596
H 2.800463 2.660325 -0.075871
H 0.265418 2.830766 -0.177338
H -4.017355 0.812410 0.710936
H -3.825258 1.052915 -1.051050
H 4.681273 -1.758984 -0.713705
H 4.563548 -1.654320 1.119239
H -4.582358 -1.323215 -1.283322
H -6.634687 -0.102353 -0.752852
H -6.485712 -1.253736 0.535705


