%chk=000133517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133517

0 1
 O    1.382600      0.3818000     -0.7619000    
 O    3.314200      -1.255200       1.782000    
 O    3.601500       2.069900      -1.143100    
 O  -0.1021000       1.692600      0.7157000    
 N  -0.7963000     -0.2967000     -0.2297000    
 N   -3.127200     -0.6618000     -0.3609000    
 N   -2.336700       1.339200      0.5841000    
 N   -4.622300      0.9666000      0.4464000    
 C    2.619400      -1.134600      0.5585000    
 C   0.5432000     -0.7472000     -0.4709000    
 C    1.153900      -1.459600      0.7220000    
 C    2.553300      0.3030000      6.8499997E-02
 C    3.773500      0.7258000     -0.7299000    
 C   -1.912100      -1.051400     -0.5702000    
 C   -1.029000      0.9559000      0.3768000    
 C   -1.689600      -2.393700      -1.218300    
 C   -3.326400      0.5652000      0.2308000    
 H    3.071900      -1.800700     -0.1857000    
 H   0.5896000      -1.389600      -1.355100    
 H   0.9537000      -2.535300      0.7297000    
 H   0.7786000      -1.064600       1.675100    
 H    2.415000       1.000200      0.9046000    
 H    3.897300      0.1139000      -1.629400    
 H    4.685900      0.6613000     -0.1301000    
 H    4.227900     -0.9595000       1.631000    
 H   -1.275900      -2.255800      -2.221200    
 H   -2.639500      -2.929300      -1.310700    
 H   -1.008300      -3.005200     -0.6224000    
 H    2.786000       2.113000      -1.671200    
 H   -4.831200       1.860200      0.8782000    
 H   -5.405600      0.3805000      0.1792000    


%chk=000133517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133517

0 1
O 1.388762 -0.063811 -0.944717
O 3.354296 -0.737064 2.113819
O 3.367917 1.827989 -1.815596
O 0.014703 1.156393 1.427038
N -0.832840 -0.500684 -0.033433
N -3.154550 -0.493381 -0.595358
N -2.293852 1.127237 1.039320
N -4.562000 1.005418 0.505444
C 2.734274 -0.968522 0.811073
C 0.538199 -1.041431 -0.241057
C 1.290142 -1.459588 1.048070
C 2.531782 0.305129 -0.048869
C 3.686513 0.670821 -0.978527
C -1.922484 -0.985154 -0.753618
C -1.000319 0.666010 0.871815
C -1.758350 -2.104373 -1.758378
C -3.284597 0.550820 0.334029
H 3.315505 -1.714761 0.222675
H 0.430742 -1.896502 -0.923842
H 1.236270 -2.547685 1.212412
H 0.904702 -0.932310 1.933101
H 2.221139 1.149844 0.591492
H 3.950180 -0.212058 -1.602442
H 4.572241 0.973101 -0.390269
H 4.291844 -0.443614 1.989027
H -1.035962 -1.842356 -2.551805
H -2.742216 -2.275911 -2.217006
H -1.423912 -3.045281 -1.285105
H 2.473332 1.668092 -2.213282
H -4.729870 1.769305 1.156383
H -5.316293 0.583227 -0.030496


