%chk=000097623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097623

0 1
 O  -0.3103000      -1.639100      0.1235000    
 O    1.511900       2.628300     -6.1200000E-02
 O   -1.260600       2.521900      0.1459000    
 N   0.1755000      0.6874000      0.1193000    
 C    1.896500     -0.8129000      4.8900001E-02
 C    2.440400      0.4572000     -2.7799999E-02
 C   0.4432000     -0.6823000      0.1182000    
 C    1.345500       1.423200      3.9999999E-04
 C   -1.086500       1.304300      0.1464000    
 C    2.684300      -1.946200      3.9900001E-02
 C    3.802100      0.6645000     -0.1147000    
 C   -2.273000      0.4280000      3.9200000E-02
 C    4.067100      -1.761700     -4.6100002E-02
 C    4.620900     -0.4682000     -0.1226000    
 C   -2.856100     -9.1600001E-02   1.191700    
 C   -2.800100      0.1273000      -1.213700    
 C   -3.975100     -0.9184000       1.090400    
 C   -3.919100     -0.6994000      -1.314900    
 C   -4.506500      -1.222300     -0.1628000    
 H    2.258400      -2.941100      9.6199997E-02
 H    4.228100       1.659100     -0.1747000    
 H    4.725900      -2.626100     -5.5500001E-02
 H    5.699500     -0.3522000     -0.1896000    
 H   -2.448900      0.1392000       2.172400    
 H   -2.348900      0.5292000      -2.116900    
 H   -4.432200      -1.325700       1.987400    
 H   -4.332700     -0.9364000      -2.290800    
 H   -5.377500      -1.866300     -0.2416000    


%chk=000097623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097623

0 1
O -0.034580 -1.990520 0.803846
O 1.174447 2.530861 0.032311
O -1.096540 1.740488 1.898920
N 0.192634 0.382617 0.492037
C 2.085744 -0.932184 0.081729
C 2.453370 0.416470 -0.127450
C 0.649056 -0.990028 0.491568
C 1.270218 1.291651 0.134721
C -1.089227 0.843335 1.022715
C 3.005687 -1.978849 -0.091942
C 3.752758 0.769616 -0.524697
C -2.316632 0.224378 0.457123
C 4.322062 -1.633481 -0.490152
C 4.690264 -0.279223 -0.703111
C -3.531766 0.387577 1.176516
C -2.321077 -0.464313 -0.784283
C -4.731761 -0.142240 0.666158
C -3.526507 -0.984548 -1.297415
C -4.731533 -0.829577 -0.572371
H 2.709023 -3.018749 0.076129
H 4.023858 1.817975 -0.682881
H 5.068530 -2.421532 -0.635622
H 5.715439 -0.043682 -1.007855
H -3.509316 0.932453 2.125921
H -1.392280 -0.577005 -1.352193
H -5.665034 -0.021597 1.226177
H -3.529030 -1.510015 -2.258115
H -5.666009 -1.240176 -0.970883


