%chk=000081611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081611

0 1
 I    2.281800       2.950800      0.1328000    
 I    2.565700      -3.034100     -0.1180000    
 O  -0.8708000       2.162400      7.2800003E-02
 O   -2.894600      0.5728000     -0.5424000    
 C  -0.7311000     -0.2108000     -2.4400000E-02
 C  -0.1035000       1.033600      3.2299999E-02
 C   3.4000002E-02  -1.376200     -6.7199998E-02
 C   -2.183700     -0.3196000     -4.2100001E-02
 C    1.289100       1.112700      4.6500001E-02
 C    1.426600      -1.297400     -5.3100001E-02
 C    2.054300     -5.2900001E-02  3.8000001E-03
 C   -2.867800      -1.541100      0.5590000    
 H  -0.4453000      -2.350200     -0.1273000    
 H    3.140700      5.7999999E-03  1.4700000E-02
 H   -2.306000      -1.918900       1.417600    
 H   -2.968800      -2.317600     -0.2031000    
 H   -3.860100      -1.252400      0.9187000    
 H   -1.807200       1.946200      0.2025000    


%chk=000081611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081611

0 1
I 2.269707 3.038267 -0.220732
I 2.652760 -3.095586 0.000133
O -0.821956 2.225852 0.048406
O -2.887402 0.817222 0.256712
C -0.733070 -0.222379 0.141026
C -0.096321 1.071699 0.040938
C 0.062634 -1.403830 0.128410
C -2.203939 -0.278921 0.252468
C 1.323563 1.131228 -0.069082
C 1.454643 -1.309974 0.019780
C 2.094269 -0.044009 -0.079518
C -2.933960 -1.600958 0.361422
H -0.420751 -2.380871 0.203787
H 3.182006 0.019743 -0.163864
H -2.603585 -2.165685 1.252444
H -2.744374 -2.236329 -0.522967
H -4.013764 -1.406294 0.438653
H -1.827160 1.953925 0.135082


