%chk=000149232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149232

0 1
 S   -5.605700      0.3798000       1.023900    
 O   -1.483800     -0.8601000      -3.090600    
 O   -6.836200     -6.8700001E-02   1.648600    
 O   -4.717800       1.292400       1.716500    
 N   0.5722000     -0.3132000      -1.248200    
 N    4.100400      0.5084000      0.8602000    
 N   -4.748100      -1.001800      0.4563000    
 C    1.768300     -3.4299999E-02 -0.5328000    
 C    2.548700      -1.089500     -4.9600001E-02
 C    2.155100       1.292500     -0.3186000    
 C    3.723400     -0.7678000      0.6511000    
 C    3.345100       1.521000      0.3927000    
 C  -0.7553000     -0.4857000     -0.8349000    
 C    2.184100      -2.432300     -0.2503000    
 C    1.390100       2.372300     -0.7929000    
 C   -1.769400     -0.7580000      -1.761600    
 C    4.504700      -1.814100       1.134500    
 C    3.735500       2.839900      0.6090000    
 C   -3.400300     -0.8268000      1.9600000E-02
 C   -1.079000     -0.3860000      0.5237000    
 C   -3.086900     -0.9279000      -1.335800    
 C   -2.396300     -0.5558000      0.9493000    
 C    2.982700      -3.459800      0.2431000    
 C    1.802500       3.681600     -0.5634000    
 C    4.145300      -3.149500      0.9369000    
 C    2.977700       3.915400      0.1390000    
 C   -6.056800       1.128100     -0.5257000    
 H   0.7218000     -0.4001000      -2.249200    
 H    1.284200      -2.710300     -0.7926000    
 H   0.4685000       2.225100      -1.349900    
 H    5.420500      -1.596900       1.681300    
 H    4.652600       3.049200       1.156700    
 H  -0.3186000     -0.1788000       1.272300    
 H   -3.872100      -1.138100      -2.058500    
 H   -2.622500     -0.4871000       2.010200    
 H    2.699600      -4.496000      8.5900001E-02
 H    1.210600       4.513800     -0.9316000    
 H    4.775800      -3.943700       1.325900    
 H    3.308800       4.933200      0.3233000    
 H   -5.296500      -1.645200     -0.1302000    
 H   -6.626600      0.4083000      -1.116300    
 H   -6.677500       2.000300     -0.3087000    
 H   -5.154000       1.442900      -1.051500    
 H   -2.303300      -1.050400      -3.578500    


%chk=000149232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149232

0 1
S -5.841684 1.126437 0.596687
O -1.345994 -1.902833 -2.602615
O -7.451664 0.895112 0.702181
O -5.035394 2.035943 1.679346
N 0.474906 -0.849539 -1.007643
N 4.132687 0.579783 0.763753
N -4.944281 -0.761682 0.651269
C 1.651852 -0.352303 -0.390723
C 2.748890 -1.253702 -0.199663
C 1.805654 1.023881 -0.028096
C 3.986042 -0.722591 0.363790
C 3.071599 1.427930 0.582136
C -0.849308 -0.758163 -0.565867
C 2.681663 -2.656767 -0.511882
C 0.816142 2.036765 -0.284732
C -1.853283 -1.327001 -1.416029
C 5.110008 -1.605325 0.533028
C 3.244551 2.799421 0.985802
C -3.612439 -0.761471 0.194896
C -1.262197 -0.208436 0.680184
C -3.208349 -1.300981 -1.070189
C -2.613437 -0.214335 1.056740
C 3.789067 -3.482286 -0.328531
C 1.029370 3.357525 0.100069
C 5.019712 -2.949851 0.187183
C 2.247172 3.741380 0.759913
C -5.482353 1.931784 -1.129166
H 0.599546 -1.466171 -1.817130
H 1.741045 -3.089989 -0.869526
H -0.110624 1.764939 -0.796976
H 6.024315 -1.170494 0.947931
H 4.196089 3.059367 1.459187
H -0.511979 0.200518 1.361654
H -3.961875 -1.720754 -1.751219
H -2.929382 0.188721 2.022681
H 3.720155 -4.549775 -0.564535
H 0.265020 4.114894 -0.104588
H 5.880828 -3.613383 0.321319
H 2.390073 4.782676 1.068045
H -5.595588 -1.288631 0.033040
H -6.048657 1.353747 -1.872114
H -5.846789 2.964444 -1.036961
H -4.395115 1.886417 -1.280077
H -2.054495 -2.338921 -3.133969


