%chk=000012850.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012850

0 1
 O   0.5705000       1.816300      0.9389000    
 O    2.613600      -2.007000     -0.5972000    
 O    3.756800       1.300500     -0.4822000    
 N   0.3831000      -1.343500     -0.4824000    
 N    1.940700      5.1300000E-02  0.2798000    
 C  -0.4030000     -0.2041000     -3.3599999E-02
 C   -1.283800     -0.5968000       1.158800    
 C   -1.095400      0.4492000      -1.237500    
 C   -2.611600      -1.252200      0.7811000    
 C   -2.287000       1.346500     -0.9031000    
 C   -3.724300     -0.2358000      0.5348000    
 C   -3.593400      0.5691000     -0.7528000    
 C   0.7398000      0.6998000      0.4633000    
 C    1.755400      -1.187500     -0.2963000    
 C    3.238500      0.5945000      0.6286000    
 H   -1.477700      0.2749000       1.797300    
 H  -0.7272000      -1.298900       1.795600    
 H   -1.419900     -0.3228000      -1.948400    
 H  -0.3615000       1.054300      -1.788200    
 H   -2.926000      -1.879800       1.624900    
 H   -2.496700      -1.923100     -7.7799998E-02
 H   -2.420100       2.044200      -1.739900    
 H   -2.091200       1.961400     -1.7800000E-02
 H   -3.792100      0.4508000       1.387900    
 H   -4.680500     -0.7731000      0.5012000    
 H   -3.730800     -9.5700003E-02  -1.614600    
 H   -4.424700       1.284700     -0.7867000    
 H  -2.6600000E-02  -2.177600     -0.8914000    
 H    3.923200     -0.2197000      0.8829000    
 H    3.133600       1.285000       1.470400    
 H    4.624000       1.652600     -0.2185000    


%chk=000012850-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012850

0 1
O 0.510120 1.738034 1.168427
O 2.797203 -2.012599 -0.539870
O 3.532838 1.489065 -0.619827
N 0.483281 -1.455541 -0.413134
N 1.964606 0.047936 0.359470
C -0.365002 -0.322608 0.033782
C -1.343389 -0.719163 1.179051
C -1.053854 0.333272 -1.206872
C -2.724318 -1.272270 0.742636
C -2.177525 1.355827 -0.902685
C -3.784231 -0.165465 0.509506
C -3.576705 0.705778 -0.752767
C 0.714834 0.640483 0.597206
C 1.841709 -1.253899 -0.254732
C 3.238566 0.687685 0.579078
H -1.503763 0.179742 1.804855
H -0.816152 -1.455773 1.815294
H -1.472460 -0.485897 -1.826476
H -0.259181 0.802578 -1.817595
H -3.094520 -1.938765 1.545975
H -2.634025 -1.908823 -0.162184
H -2.222459 2.072132 -1.745725
H -1.918228 1.953115 -0.007756
H -3.799706 0.488013 1.405912
H -4.787390 -0.633311 0.447720
H -3.770937 0.088449 -1.655297
H -4.345715 1.504068 -0.753463
H 0.119209 -2.303462 -0.843182
H 3.993552 -0.108897 0.723044
H 3.148707 1.332631 1.474700
H 4.410635 1.935166 -0.507990


