%chk=000095229.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095229

0 1
 O   0.1826000      -1.202600      -1.051700    
 O    1.366100       1.793700     -0.7803000    
 O   -3.406100       2.566300      0.7971000    
 O   -1.490700       2.105300     -0.1714000    
 N   -2.610600       1.754000      0.2690000    
 C  -0.8013000     -0.1654000     -0.9475000    
 C   0.3563000     -0.2345000     -3.9000001E-02
 C   -2.128000     -0.5510000     -0.4188000    
 C    1.563900      0.6588000     -0.3018000    
 C   -2.991400      0.3873000      0.1663000    
 C   -2.537700      -1.889400     -0.5026000    
 C    2.905100      0.1870000      3.0000000E-03
 C   -4.237200     -5.1000002E-03  0.6562000    
 C   -3.783400      -2.281700     -1.2600000E-02
 C   -4.633000      -1.339600      0.5669000    
 C    3.091200      -1.087800      0.5381000    
 C    4.005900       1.008700     -0.2401000    
 C    4.377700      -1.540600      0.8303000    
 C    5.292400      0.5557000      5.1899999E-02
 C    5.478200     -0.7190000      0.5872000    
 H  -0.7889000      0.5043000      -1.802600    
 H   0.1980000     -0.5239000      0.9934000    
 H   -1.899600      -2.644100     -0.9557000    
 H   -4.928100      0.6979000       1.114500    
 H   -4.092700      -3.320400     -8.3700001E-02
 H   -5.603000      -1.645700      0.9479000    
 H    2.262400      -1.758400      0.7430000    
 H    3.886800       2.005500     -0.6565000    
 H    4.523100      -2.533000       1.247100    
 H    6.149700       1.195100     -0.1372000    
 H    6.480000      -1.071700      0.8146000    


%chk=000095229-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095229

0 1
O -0.267630 -1.288796 -1.975306
O 1.607297 0.995431 -2.029744
O -2.956589 2.454322 1.553023
O -1.064106 1.956070 0.389056
N -2.252559 1.666551 0.811707
C -0.898689 -0.157970 -1.214643
C 0.442977 -0.687138 -0.774660
C -2.162767 -0.507741 -0.484137
C 1.669825 0.146894 -1.092430
C -2.830312 0.352630 0.434234
C -2.777319 -1.756357 -0.758508
C 2.911759 -0.032635 -0.277714
C -4.053431 -0.004507 1.048015
C -3.991018 -2.130468 -0.145077
C -4.635651 -1.251800 0.758151
C 3.119194 -1.137016 0.594594
C 3.937371 0.944823 -0.413044
C 4.327135 -1.257909 1.314393
C 5.137178 0.827028 0.312522
C 5.335393 -0.275671 1.179736
H -0.855493 0.795140 -1.755564
H 0.463714 -1.358655 0.089964
H -2.276851 -2.419397 -1.470327
H -4.516323 0.701990 1.741792
H -4.438299 -3.102409 -0.378564
H -5.580758 -1.536090 1.231121
H 2.359593 -1.918089 0.701858
H 3.763484 1.784294 -1.094152
H 4.483165 -2.115643 1.977325
H 5.917697 1.588014 0.207030
H 6.269715 -0.369195 1.744347


