%chk=000089776.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089776

0 1
 I    3.018000       2.352700     -0.7163000    
 O   -2.537800     -3.8300000E-02  0.8338000    
 O    2.062100      -1.804800     -0.5024000    
 O    3.189000     -0.5240000       1.043000    
 O   -2.841800     -0.6760000      -1.397900    
 C    1.063100      0.1769000      0.2221000    
 C   -1.319500      0.4675000      0.4988000    
 C  -0.1855000     -0.3421000      0.5649000    
 C    1.177500       1.505700     -0.1868000    
 C   -1.205100       1.796100      9.0000004E-02
 C   4.3400001E-02   2.315200     -0.2529000    
 C    2.209300     -0.7199000      0.3155000    
 C   -3.237400     -0.6101000     -0.2417000    
 C   -4.561100      -1.136200      0.2281000    
 C    3.125900      -2.762800     -0.4983000    
 H  -0.2859000      -1.375200      0.8908000    
 H   -2.084500       2.432200      3.7000000E-02
 H   0.1065000       3.353600     -0.5684000    
 H   -4.403700      -1.904500      0.9890000    
 H   -5.093900      -1.583800     -0.6156000    
 H   -5.163400     -0.3163000      0.6268000    
 H    3.244200      -3.190500      0.5016000    
 H    4.056700      -2.293900     -0.8309000    
 H    2.865900      -3.563500      -1.195700    


%chk=000089776-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089776

0 1
I 3.025315 2.780025 -0.381327
O -2.413704 -0.550836 0.050526
O 2.118736 -2.037822 0.116672
O 3.633165 -0.286694 -0.062401
O -4.059327 1.133223 -0.079021
C 1.213084 0.170222 -0.085624
C -1.247641 0.264057 -0.054069
C -0.051529 -0.471138 0.000318
C 1.240426 1.589112 -0.231670
C -1.226313 1.671349 -0.198571
C 0.026865 2.312792 -0.285457
C 2.445215 -0.679182 -0.016012
C -3.745318 -0.068099 0.030678
C -4.688436 -1.241738 0.156554
C 3.277570 -2.956074 0.197126
H -0.089587 -1.556297 0.111162
H -2.149747 2.248851 -0.240847
H 0.053357 3.400468 -0.396494
H -4.577594 -1.909748 -0.715693
H -5.723823 -0.877075 0.213108
H -4.445576 -1.834077 1.054990
H 3.910949 -2.697640 1.062279
H 3.881238 -2.890479 -0.723674
H 2.834675 -3.955198 0.311948


