%chk=000008749.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008749

0 1
 O   -3.684700     -0.1383000     -0.7411000    
 N    2.455900     -1.9800000E-02 -8.3499998E-02
 N   -3.100700      7.1099997E-02  0.3326000    
 C    1.049700      3.1000001E-03  2.1800000E-02
 C   0.3561000       1.199900     -0.1587000    
 C   0.3523000      -1.171000      0.3063000    
 C    3.237300       1.150200      0.2648000    
 C    3.139200      -1.218400     -0.5280000    
 C   -1.034600       1.222700     -5.4499999E-02
 C   -1.038600      -1.148200      0.4104000    
 C   -1.731900      4.8700001E-02  0.2300000    
 H   0.8678000       2.129100     -0.3931000    
 H   0.8622000      -2.117100      0.4645000    
 H    3.223300       1.882500     -0.5492000    
 H    4.284200      0.8855000      0.4511000    
 H    2.864700       1.623500       1.180400    
 H    4.153600     -0.9895000     -0.8736000    
 H    2.619100      -1.688200      -1.370500    
 H    3.225500      -1.941900      0.2895000    
 H   -1.559100       2.164400     -0.2006000    
 H   -1.565900      -2.072600      0.6356000    


%chk=000008749-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008749

0 1
O -3.868156 -0.802394 0.079431
N 2.482056 -0.020866 -0.065146
N -3.186128 0.300610 0.119166
C 1.094660 0.034136 -0.021472
C 0.405240 1.292447 0.068259
C 0.306589 -1.172919 -0.065562
C 3.274181 1.219534 -0.024859
C 3.175279 -1.317491 -0.148707
C -0.992227 1.332260 0.111154
C -1.086664 -1.120605 -0.022134
C -1.758188 0.134804 0.067258
H 0.967206 2.228940 0.104254
H 0.801275 -2.145591 -0.134794
H 3.031794 1.884294 -0.876972
H 4.345060 0.971961 -0.080695
H 3.101369 1.782981 0.913153
H 4.262826 -1.149149 -0.163845
H 2.902320 -1.868209 -1.070166
H 2.941864 -1.961583 0.721495
H -1.530223 2.284463 0.180325
H -1.694730 -2.031922 -0.055942


