%chk=000096851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096851

0 1
 O    1.568400      0.5072000       1.033400    
 O    2.200800      -2.146600      -1.307100    
 O    4.119900     -0.9303000      0.1839000    
 O    1.895600       3.253900      0.5735000    
 N  -0.2230000     -0.8714000      0.3121000    
 N   -2.265000      -1.774300      0.2400000    
 N  -0.7901000       1.458400     -8.1799999E-02
 N  -0.3662000      -3.197600      0.6325000    
 N   -3.196300       1.754200     -0.3629000    
 N   -4.736900     -7.4000001E-02 -0.2535000    
 C    1.228400     -0.7594000      0.4375000    
 C    1.971400     -0.8166000     -0.8885000    
 C    3.248000     -7.1699999E-02 -0.5513000    
 C    2.745900       1.030500      0.3762000    
 C    2.356200       2.300200     -0.3676000    
 C   -1.090700      0.1606000      7.6600000E-02
 C  -0.9802000      -2.012900      0.4015000    
 C   -2.348400     -0.4198000      3.6300000E-02
 C   -3.426000      0.4298000     -0.1933000    
 C   -1.911600       2.179900     -0.2975000    
 H    1.563400      -1.530600       1.139100    
 H    1.420700     -0.2908000      -1.677000    
 H    3.790500      0.2819000      -1.432600    
 H    3.465600       1.268600       1.167500    
 H    1.563200       2.131700      -1.101200    
 H    3.220100       2.725300     -0.8875000    
 H    2.733600      -2.588900     -0.6244000    
 H    4.905200     -0.4092000      0.4238000    
 H    1.127500       2.868200       1.028600    
 H   0.6384000      -3.311800      0.7087000    
 H  -0.9035000      -4.055600      0.7091000    
 H   -1.764300       3.245400     -0.4374000    
 H   -4.910600      -1.062200     -0.1291000    
 H   -5.503100      0.5631000     -0.4235000    


%chk=000096851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096851

0 1
O 1.808567 0.509032 1.147075
O 2.585359 -2.513550 -0.618998
O 4.403277 -0.846516 0.407900
O 1.368222 3.058253 -0.105025
N -0.132318 -0.682261 0.254868
N -2.207134 -1.659766 -0.047810
N -0.891825 1.721334 0.350642
N -0.251613 -3.098350 0.012610
N -3.323598 1.937006 0.152853
N -4.740215 0.061386 -0.118672
C 1.306222 -0.737642 0.598432
C 2.206451 -1.106452 -0.634091
C 3.427695 -0.156781 -0.467215
C 2.809149 1.091181 0.177006
C 2.125090 2.062811 -0.814651
C -1.069577 0.372009 0.257495
C -0.878169 -1.875091 0.059279
C -2.330781 -0.265228 0.084064
C -3.478552 0.572707 0.039503
C -2.064934 2.430586 0.292075
H 1.411248 -1.519719 1.377756
H 1.672956 -0.923781 -1.580594
H 3.957139 0.041359 -1.411519
H 3.513335 1.657281 0.810044
H 1.491527 1.491583 -1.534606
H 2.911191 2.583532 -1.395252
H 3.455950 -2.554975 -0.126854
H 4.235890 -0.580950 1.349386
H 0.501736 2.591956 0.220898
H 0.753580 -3.188489 -0.189888
H -0.856289 -3.910482 -0.086906
H -1.971347 3.517831 0.360692
H -4.869064 -0.943941 -0.208301
H -5.532269 0.699328 -0.148093


