%chk=000127077.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127077

0 1
 I   -5.566000       2.911300     -0.3981000    
 O    2.096800      3.1599998E-02 -0.7914000    
 O    3.796000      -2.258600     -0.4533000    
 O    3.740000       2.349600     -0.3722000    
 O    1.628700     -8.5199997E-02   1.467600    
 O   -5.165400      -2.479400     -0.4338000    
 N    3.456500      4.1700002E-02 -0.4103000    
 C    5.546700     -0.7084000      0.1719000    
 C    5.528100      0.8214000      0.1989000    
 C   -1.149200     -8.7399997E-02  0.9884000    
 C    4.166100      -1.108800     -0.2733000    
 C    4.138000       1.203600     -0.2327000    
 C  -0.1619000     -4.4700000E-02 -0.1774000    
 C   -2.577800     -8.9299999E-02  0.5095000    
 C    1.273800     -3.7500001E-02  0.2974000    
 C   -3.211000      -1.297700      0.2590000    
 C   -3.237900       1.117100      0.3260000    
 C   -4.533500      -1.300100     -0.1849000    
 C   -4.560300       1.114800     -0.1180000    
 C   -5.207900     -9.3900003E-02 -0.3734000    
 H    5.750200      -1.121000       1.164400    
 H    6.288800      -1.083800     -0.5386000    
 H    6.260800       1.239400     -0.4976000    
 H    5.721800       1.203500       1.205300    
 H  -0.9846000      0.7686000       1.656300    
 H  -0.9664000     -0.9758000       1.607600    
 H  -0.3028000     -0.9204000     -0.8219000    
 H  -0.3275000      0.8596000     -0.7750000    
 H   -2.688200      -2.239600      0.4028000    
 H   -2.722500       2.053300      0.5263000    
 H   -6.239000     -0.1043000     -0.7196000    
 H   -6.072500      -2.295100     -0.7325000    


%chk=000127077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127077

0 1
I -5.571001 3.049070 -0.330113
O 2.121736 -0.117581 -0.754670
O 3.827593 -2.360050 -0.060100
O 3.659245 2.327193 -0.529380
O 1.687978 0.153734 1.556426
O -5.236651 -2.494079 -0.605551
N 3.500834 -0.036243 -0.412629
C 5.682000 -0.680551 0.178529
C 5.625388 0.865195 0.032804
C -1.192324 -0.203434 1.078141
C 4.263696 -1.193663 -0.094261
C 4.178632 1.211643 -0.333689
C -0.180716 -0.012105 -0.081676
C -2.625700 -0.150751 0.568785
C 1.246841 0.023513 0.411094
C -3.307795 -1.336726 0.219696
C -3.272941 1.105718 0.409739
C -4.625907 -1.272564 -0.285489
C -4.586551 1.144250 -0.096593
C -5.284747 -0.028979 -0.451280
H 5.983357 -1.005707 1.188411
H 6.374048 -1.155123 -0.537870
H 6.293742 1.248913 -0.756645
H 5.884811 1.393051 0.965944
H -1.018247 0.582437 1.834810
H -0.995078 -1.171769 1.571846
H -0.280298 -0.808954 -0.840580
H -0.375832 0.939919 -0.613688
H -2.838279 -2.318368 0.338755
H -2.755041 2.028012 0.689723
H -6.308046 0.018538 -0.839718
H -6.156846 -2.360038 -0.943369


