%chk=000080427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080427

0 1
 O    3.139400      -2.611100     -0.4028000    
 O    4.271900       1.951600      0.5110000    
 O    5.050000     -0.6798000      0.1367000    
 O  -0.6717000       1.880600     -0.5443000    
 N   -1.283400     -0.2848000      0.1208000    
 C    1.037500      0.3647000     -0.1062000    
 C    1.997000       1.340100      0.1650000    
 C    1.425700     -0.9615000     -0.2963000    
 C  -0.3678000      0.7300000     -0.1905000    
 C   -2.698900     -0.2310000      0.1032000    
 C    2.773300      -1.312300     -0.2153000    
 C    3.344700      0.9894000      0.2459000    
 C    3.732800     -0.3368000      5.5700000E-02
 C   -3.326100      0.9485000     -0.2597000    
 C   -3.422800      -1.358700      0.4502000    
 C   -4.719800       1.001800     -0.2766000    
 C   -4.816600      -1.305400      0.4334000    
 C   -5.465200     -0.1252000      7.0000000E-02
 H    1.701100       2.375100      0.3197000    
 H   0.7154000      -1.744400     -0.5470000    
 H  -0.9193000      -1.177900      0.4410000    
 H   -2.822100       1.861000     -0.5403000    
 H   -2.928000      -2.283100      0.7346000    
 H   -5.226200       1.920200     -0.5594000    
 H   -5.397000      -2.182800      0.7033000    
 H   -6.550400     -8.3700001E-02  5.6800000E-02
 H    4.106200      -2.672600     -0.3116000    
 H    3.821500       2.807700      0.6123000    
 H    5.564900      0.1226000      0.3309000    


%chk=000080427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080427

0 1
O 3.253471 -2.670288 -0.266151
O 4.435387 1.934667 0.362398
O 5.143466 -0.697805 0.113070
O -0.701992 1.979872 -0.293150
N -1.332784 -0.244606 0.118862
C 1.048994 0.322358 -0.039596
C 2.010042 1.351948 0.135154
C 1.467625 -1.027275 -0.176943
C -0.391403 0.762691 -0.091689
C -2.753367 -0.159577 0.081106
C 2.839165 -1.344807 -0.120262
C 3.372599 1.021655 0.189650
C 3.794217 -0.320219 0.069811
C -3.456360 1.040550 -0.211823
C -3.480227 -1.352091 0.351043
C -4.867893 1.025037 -0.232981
C -4.888786 -1.348959 0.327836
C -5.594032 -0.158124 0.034289
H 1.650071 2.384329 0.210415
H 0.774728 -1.849699 -0.381658
H -0.962912 -1.165056 0.364891
H -2.894006 1.954091 -0.410533
H -2.940968 -2.281773 0.576921
H -5.403610 1.953696 -0.460054
H -5.434244 -2.275704 0.537487
H -6.688993 -0.154323 0.015401
H 4.244770 -2.711803 -0.218982
H 4.113585 2.865643 0.423378
H 5.709562 0.107774 0.232610


