%chk=000178704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178704

0 1
 I   -3.973300       1.714700       1.134900    
 O    2.896500       2.035000     -0.4270000    
 C   -2.121600     -0.4631000     -1.7999999E-02
 C  -0.9658000     -0.9146000     -0.9418000    
 C   0.4077000     -0.6264000     -0.3837000    
 C   -2.396400       1.046900     -0.1656000    
 C   -3.407500      -1.237000     -0.3443000    
 C    1.017200      0.5843000     -0.6712000    
 C    1.031300      -1.578400      0.4065000    
 C    2.285400      0.8499000     -0.1547000    
 C    2.299700      -1.312700      0.9228000    
 C    2.926700     -9.8600000E-02  0.6422000    
 H   -1.857100     -0.6885000       1.023700    
 H   -1.068400     -0.4586000      -1.935600    
 H   -1.033500      -1.996600      -1.119200    
 H   -2.659500       1.290800      -1.201500    
 H   -1.500400       1.622800      8.5000001E-02
 H   -4.177700      -1.130500      0.4234000    
 H   -3.826100     -0.9312000      -1.309500    
 H   -3.197400      -2.311300     -0.4052000    
 H   0.5195000       1.319300      -1.297900    
 H   0.5501000      -2.525400      0.6331000    
 H    2.798700      -2.050600       1.544100    
 H    3.914500      0.1028000       1.047700    
 H    2.310600       2.570200     -0.9895000    


%chk=000178704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178704

0 1
I -3.739242 1.296891 1.919236
O 3.178772 1.901428 -0.835071
C -2.206654 -0.666719 -0.038272
C -1.001763 -0.895916 -1.017557
C 0.362673 -0.559741 -0.429235
C -2.307430 0.834759 0.272888
C -3.503825 -1.237949 -0.648253
C 1.121221 0.528084 -0.928923
C 0.896947 -1.333788 0.633373
C 2.387177 0.834823 -0.372423
C 2.160344 -1.018312 1.183031
C 2.915162 0.065414 0.688126
H -1.982418 -1.203846 0.904004
H -1.177839 -0.310111 -1.941531
H -1.027247 -1.963937 -1.311259
H -2.687196 1.416588 -0.583504
H -1.356776 1.253283 0.634874
H -4.362150 -1.089620 0.030008
H -3.738629 -0.742122 -1.609979
H -3.401898 -2.321626 -0.840891
H 0.723797 1.131093 -1.757888
H 0.327908 -2.185490 1.024153
H 2.565236 -1.622332 2.002444
H 3.895223 0.323849 1.099117
H 2.731809 2.378498 -1.577769


