%chk=000096631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096631

0 1
 O   -1.852400     -0.3982000       1.056600    
 O   -1.274400       2.301100      -1.230700    
 O   -3.510800       1.976200      0.2940000    
 O   -3.252700      -2.759300      0.4796000    
 N   0.3193000     -5.2900001E-02  0.1716000    
 N    1.542400      -2.067300     -0.3426000    
 N    1.769200       1.914600      0.5346000    
 N    3.777200      0.8688000      0.1593000    
 N    3.950200      -1.990500     -0.4942000    
 C   -1.630500      0.9866000     -0.8525000    
 C  -0.9614000      0.5497000      0.4411000    
 C   -3.099800      0.8684000     -0.5066000    
 C   -3.121700     -0.3765000      0.3686000    
 C   -3.253400      -1.669300     -0.4254000    
 C    1.493000      0.6727000      0.2646000    
 C   0.4410000      -1.407100     -0.1237000    
 C    2.762400     -3.4600001E-02  2.1299999E-02
 C    2.749800      -1.354100     -0.2713000    
 C    3.152500       1.971800      0.4558000    
 H   -1.390200      0.3106000      -1.682200    
 H  -0.8476000       1.388100       1.139000    
 H   -3.757500      0.8253000      -1.378500    
 H   -3.898500     -0.3310000       1.140300    
 H   -2.437000      -1.811100      -1.137700    
 H   -4.199600      -1.680700     -0.9763000    
 H  -0.3099000       2.318500      -1.352000    
 H   -3.010400       1.968900       1.126800    
 H  -0.5071000      -1.954400     -0.1689000    
 H   -3.350100      -3.570200     -4.8000000E-02
 H    3.679600       2.920400      0.6385000    
 H    4.820100      -1.475500     -0.4402000    
 H    3.947200      -2.979000     -0.7109000    


%chk=000096631-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096631

0 1
O -1.850348 -0.937366 0.785492
O -1.115034 2.448107 -0.408882
O -3.422824 1.849635 0.723868
O -3.865465 -2.805225 -0.174445
N 0.432996 -0.378564 0.372085
N 1.998292 -2.214122 0.389545
N 1.412956 1.839437 -0.220224
N 3.621689 1.089089 -0.487058
N 4.288529 -1.917458 -0.078817
C -1.474711 1.059093 -0.523647
C -0.932114 0.172984 0.639591
C -3.003874 0.910868 -0.309843
C -3.186002 -0.530779 0.212227
C -3.607780 -1.534656 -0.858076
C 1.461514 0.490253 0.027407
C 0.763604 -1.710869 0.540518
C 2.798262 0.014588 -0.134732
C 3.049721 -1.369077 0.055411
C 2.748690 2.138970 -0.521547
H -1.169234 0.613222 -1.494364
H -0.874470 0.777294 1.568467
H -3.562135 1.093151 -1.249871
H -3.910546 -0.544136 1.043901
H -2.808686 -1.639063 -1.623483
H -4.530045 -1.151406 -1.347368
H -0.066728 2.473743 -0.348493
H -2.814674 2.639106 0.618486
H -0.061344 -2.371292 0.811209
H -4.127700 -3.491926 -0.837244
H 3.056738 3.152673 -0.769426
H 5.077014 -1.318766 -0.319911
H 4.412610 -2.917507 0.069225


