%chk=000086574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086574

0 1
 O  -0.4316000      0.4571000      9.8399997E-02
 O    2.104300      7.6600000E-02   1.212700    
 O   0.2643000      -1.797900      0.2231000    
 O   -2.270900     -0.7715000     -0.5398000    
 N   -2.488000       1.253800      0.5261000    
 C    1.899100     -0.1031000     -0.1877000    
 C   0.4531000     -0.5451000     -0.4335000    
 C    2.239000       1.210400     -0.8791000    
 C   -1.769300      0.2196000     -2.0300001E-02
 H    2.583800     -0.8925000     -0.5182000    
 H   0.2759000     -0.6655000      -1.509400    
 H    3.287600       1.474000     -0.7029000    
 H    1.640300       2.037900     -0.4834000    
 H    2.077100       1.142400      -1.959100    
 H    3.037400      0.3165000       1.345200    
 H  -0.4444000      -2.265600     -0.2504000    
 H   -2.026800       2.054500      0.9447000    
 H   -3.502500       1.249400      0.5278000    


%chk=000086574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086574

0 1
O -0.353435 0.573324 0.041949
O 2.415487 0.068820 1.089683
O 0.468239 -1.685905 0.363463
O -2.103618 -0.987496 -0.188055
N -2.500588 1.244656 0.413532
C 2.022628 -0.000553 -0.317657
C 0.577058 -0.510861 -0.447373
C 2.246653 1.380319 -0.936553
C -1.699078 0.187514 0.066852
H 2.643057 -0.758914 -0.846651
H 0.289184 -0.701394 -1.501415
H 3.304469 1.664772 -0.809010
H 1.615848 2.130676 -0.434623
H 2.011665 1.374369 -2.016954
H 2.048406 -0.740358 1.536019
H -0.464324 -2.032951 0.260267
H -2.093304 2.156815 0.606784
H -3.499949 1.088166 0.513939


