%chk=000051383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051383

0 1
 O    1.941500      -1.510000      0.2096000    
 O   -4.469600      -1.102700     -0.1766000    
 O   -3.178400       2.173400      0.1897000    
 N   -3.428600     -0.1450000     -2.6400000E-02
 C   -2.077700     -0.4883000      3.3599999E-02
 C   0.6240000      -1.174300      0.1507000    
 C   -1.189600      0.2987000      0.7665000    
 C   -1.615200      -1.618400     -0.6408000    
 C   0.1612000     -4.4100001E-02  0.8250000    
 C  -0.2644000      -1.961400     -0.5823000    
 C    2.871800     -0.4984000      3.9600000E-02
 C    2.693000      0.4167000     -0.9819000    
 C    3.955900     -0.4298000      0.8957000    
 C   -3.889300       1.177300      5.5399999E-02
 C    3.630600       1.435100      -1.153500    
 C    4.893400      0.5887000      0.7242000    
 C    4.730700       1.521100     -0.3005000    
 C   -5.389300       1.361400     -2.7899999E-02
 H   -1.506500       1.148600       1.361400    
 H   -2.291400      -2.241200      -1.220700    
 H   0.8241000      0.5660000       1.433000    
 H   9.0499997E-02  -2.842100      -1.110500    
 H    1.858200      0.3572000      -1.674100    
 H    4.083700      -1.154800       1.693700    
 H    3.507000       2.158000      -1.954600    
 H    5.750100      0.6556000       1.388300    
 H    5.461400       2.313300     -0.4348000    
 H   -5.763100      0.9778000     -0.9813000    
 H   -5.877800      0.8450000      0.8029000    
 H   -5.632400       2.426300      3.5300002E-02
 H   -4.565400      -1.393100      0.7468000    


%chk=000051383-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051383

0 1
O 1.919760 -1.295283 0.238624
O -4.438595 -1.212897 -0.311702
O -3.676600 2.240289 0.347412
N -3.619240 -0.069300 0.061956
C -2.203380 -0.317491 0.079319
C 0.564804 -0.891280 0.148259
C -1.288008 0.642694 0.594566
C -1.716713 -1.563196 -0.399270
C 0.089652 0.350859 0.627847
C -0.338106 -1.847003 -0.362194
C 2.976584 -0.364535 0.061430
C 2.904071 0.720225 -0.843959
C 4.163037 -0.640358 0.776063
C -4.302850 1.161196 0.133380
C 4.040160 1.541697 -1.018826
C 5.291049 0.187248 0.586701
C 5.234823 1.283240 -0.306654
C -5.811515 1.093767 -0.045237
H -1.656798 1.605185 0.949574
H -2.412144 -2.290301 -0.824388
H 0.785811 1.089047 1.037522
H 0.049413 -2.801356 -0.730290
H 1.986224 0.911988 -1.408346
H 4.184013 -1.493793 1.460352
H 3.989833 2.381456 -1.720782
H 6.212857 -0.023810 1.139885
H 6.110900 1.924592 -0.448862
H -6.080188 0.652709 -1.019842
H -6.287079 0.472293 0.734606
H -6.200012 2.120554 0.023367
H -4.533366 -1.751835 0.524989


