%chk=000095657.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095657

0 1
 O   0.2470000      0.3325000      0.1146000    
 O   -3.475500      -2.080500     -0.1611000    
 O   -1.176600       1.869300       1.056200    
 O   -5.412100     -0.9525000      0.1412000    
 N   -1.963100      6.4099997E-02 -0.1704000    
 C   -3.377600      0.3371000     -5.9900001E-02
 C    2.631900      0.3539000      0.2453000    
 C    1.365600       1.053400      0.6436000    
 C   -3.841700       1.226100      -1.203800    
 C  -0.9846000      0.8530000      0.3967000    
 C   -4.196200     -0.9425000     -1.8700000E-02
 C    3.163100     -0.6311000       1.070600    
 C    3.262300      0.6964000     -0.9458000    
 C    4.340200      -1.281500      0.7003000    
 C    4.439300      4.5699999E-02  -1.316000    
 C    4.978100     -0.9432000     -0.4929000    
 H   -3.543500      0.8498000      0.8950000    
 H    1.288800       1.105200       1.736900    
 H    1.361300       2.079800      0.2558000    
 H   -1.667100     -0.7466000     -0.7061000    
 H   -4.907000       1.463600      -1.112700    
 H   -3.284200       2.168600      -1.222100    
 H   -3.694000      0.7329000      -2.171500    
 H    2.673200     -0.9041000       2.001200    
 H    2.850100       1.463600      -1.595400    
 H    4.759500      -2.052000       1.340700    
 H    4.936000      0.3085000      -2.245400    
 H    5.894300      -1.450000     -0.7815000    
 H   -4.041900      -2.880600     -0.1233000    


%chk=000095657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095657

0 1
O 0.257289 0.297063 0.007512
O -3.561992 -2.099362 -0.555641
O -1.226428 1.915665 0.885352
O -5.474734 -1.065789 0.266408
N -1.984492 -0.055731 -0.136395
C -3.405760 0.254495 0.051119
C 2.675691 0.417867 0.160460
C 1.398265 1.169880 0.442185
C -3.931156 1.308635 -0.966623
C -1.017194 0.816451 0.302992
C -4.267228 -1.000693 -0.037067
C 3.158820 -0.549500 1.078085
C 3.411629 0.668497 -1.024309
C 4.352031 -1.257014 0.814025
C 4.607529 -0.035430 -1.291267
C 5.079804 -1.000590 -0.372103
H -3.546002 0.675161 1.065250
H 1.264995 1.394335 1.515465
H 1.338688 2.118138 -0.121185
H -1.714999 -0.937543 -0.575279
H -4.995780 1.526024 -0.776325
H -3.347020 2.235003 -0.842723
H -3.814869 0.943522 -2.001870
H 2.595796 -0.748295 1.997968
H 3.045120 1.414798 -1.739606
H 4.716554 -2.001618 1.530427
H 5.168945 0.168093 -2.209865
H 6.008111 -1.546091 -0.576022
H -4.166014 -2.887071 -0.619466


