%chk=000148993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148993

0 1
 O   -4.925700      2.9000000E-03   1.854200    
 N   0.7086000     -2.2000000E-03  -1.496200    
 N    4.039400      2.9000000E-03   1.048300    
 N   -4.796400     -2.0999999E-03 -0.4942000    
 N   -6.849100     -1.7000000E-03  0.5718000    
 C    1.838000     -6.0000003E-04 -0.6332000    
 C    2.390400      -1.214400     -0.2119000    
 C    2.387400       1.214900     -0.2131000    
 C    3.506300      -1.165100      0.6406000    
 C    3.503500       1.169200      0.6394000    
 C  -0.6698000     -2.9000000E-03  -1.245300    
 C    1.858800      -2.450600     -0.6186000    
 C    1.852900       2.449500     -0.6212000    
 C    4.060700      -2.370200       1.063700    
 C    4.055100       2.376100       1.061200    
 C    2.431800      -3.641100     -0.1816000    
 C    2.422900       3.641900     -0.1852000    
 C    3.535000      -3.600500      0.6613000    
 C    3.526300       3.604700      0.6577000    
 C   -1.581600     -3.5000001E-03  -2.307100    
 C   -1.149100     -1.7000000E-03  6.9799997E-02
 C   -3.423900     -1.4000000E-03 -0.7441000    
 C   -2.954000     -2.6000000E-03  -2.057400    
 C   -2.521400     -1.0000000E-03  0.3195000    
 C   -5.461800     -9.9999997E-05  0.7486000    
 C   -7.784200     -3.0000001E-04   1.673100    
 H   0.9660000     -6.3999998E-03  -2.478800    
 H   0.9998000      -2.518600      -1.281000    
 H   0.9938000       2.514800      -1.283700    
 H    4.925800      -2.364800       1.724400    
 H    4.920100       2.373400       1.722000    
 H    2.020100      -4.594500     -0.4980000    
 H    2.008900       4.594100     -0.5026000    
 H   -1.230400     -4.4000000E-03  -3.336200    
 H  -0.4682000     -1.1000000E-03  0.9173000    
 H    3.989900      -4.523700       1.008000    
 H    3.978900       4.529300       1.003600    
 H   -3.645900     -3.1999999E-03  -2.895900    
 H   -2.807500     -5.0000002E-04   1.361800    
 H   -5.393100     -4.1000000E-03  -1.317800    
 H   -7.220400      4.0600002E-02 -0.3720000    
 H   -8.704300     -0.4909000       1.347500    
 H   -7.995100       1.037300       1.943600    
 H   -7.363000     -0.5256000       2.534000    


%chk=000148993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148993

0 1
O -5.097169 0.759047 1.763100
N 0.635395 -0.742823 -1.342534
N 4.193632 0.029997 0.960199
N -4.912303 0.296052 -0.548378
N -6.993022 0.816474 0.394758
C 1.763743 -0.464994 -0.547163
C 2.754290 -1.495349 -0.386009
C 2.007881 0.824221 0.038018
C 3.970007 -1.178683 0.353968
C 3.233218 0.998773 0.814891
C -0.733931 -0.439312 -1.096373
C 2.594969 -2.829958 -0.899469
C 1.154865 1.966725 -0.155029
C 4.990032 -2.186489 0.481002
C 3.488660 2.273185 1.435141
C 3.600676 -3.783993 -0.751047
C 1.449170 3.191478 0.439378
C 4.818707 -3.454191 -0.066564
C 2.617483 3.343108 1.260577
C -1.649959 -0.497309 -2.179868
C -1.234195 -0.137934 0.197927
C -3.516183 0.057404 -0.677593
C -3.020682 -0.261353 -1.970924
C -2.601893 0.117228 0.409696
C -5.625311 0.631960 0.617236
C -7.896423 1.166749 1.494374
H 0.794925 -1.402881 -2.106205
H 1.655149 -3.124638 -1.381487
H 0.264137 1.874679 -0.781063
H 5.894268 -1.907094 1.030419
H 4.403929 2.357349 2.028989
H 3.455634 -4.797516 -1.140779
H 0.786836 4.048560 0.276074
H -1.286518 -0.718831 -3.190581
H -0.550078 -0.108194 1.051383
H 5.602660 -4.212244 0.038666
H 2.826379 4.309088 1.733543
H -3.709066 -0.314894 -2.824668
H -2.977580 0.350787 1.407398
H -5.444313 0.211987 -1.417038
H -7.385340 0.713614 -0.541410
H -7.287149 1.230430 2.410088
H -8.676712 0.396255 1.639826
H -8.383317 2.145332 1.323831


