%chk=000043210.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043210

0 1
 I   -5.674600       2.327700     -0.7099000    
 O    1.879500     -0.3575000      1.5000000E-02
 O    3.592100      0.9855000      0.4217000    
 O    2.691600      0.9511000      -1.699900    
 C   1.9500000E-02  -1.925900     -0.1105000    
 C  -0.7090000      -1.225900       1.063300    
 C   0.8304000      -3.140100      0.3969000    
 C   0.8967000     -0.9035000     -0.8533000    
 C   -1.888500     -0.3826000      0.6419000    
 C    1.560200      -3.893500     -0.7068000    
 C   -3.146000     -0.9600000      0.5717000    
 C   -1.690700      0.9535000      0.3329000    
 C   -4.235000     -0.1803000      0.1822000    
 C   -2.779800       1.733400     -5.6499999E-02
 C   -4.052000       1.166400     -0.1318000    
 C    2.720800      0.5670000     -0.5384000    
 C    4.549200       1.964300      3.5000001E-03
 C    5.435700       2.320400       1.177800    
 H  -0.7287000      -2.304100     -0.8204000    
 H   -1.080600      -1.989300       1.761400    
 H  -1.4800000E-02 -0.6225000       1.662300    
 H    1.556100      -2.821200       1.154800    
 H   0.1451000      -3.838600      0.8933000    
 H   0.2808000     -9.6299998E-02  -1.263500    
 H    1.391700      -1.380800      -1.706700    
 H    2.384800      -3.305500      -1.119700    
 H   0.8782000      -4.161300      -1.519800    
 H    1.988600      -4.818200     -0.3065000    
 H   -3.298300      -2.008400      0.8117000    
 H  -0.7068000       1.409000      0.3976000    
 H   -5.217700     -0.6423000      0.1296000    
 H   -2.615100       2.781200     -0.2946000    
 H    4.025200       2.859500     -0.3497000    
 H    5.158700       1.554700     -0.8097000    
 H    6.180900       3.068300      0.8927000    
 H    4.838000       2.714700       2.006300    
 H    5.952700       1.431500       1.553800    


%chk=000043210-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043210

0 1
I -5.176206 2.950316 -0.661388
O 1.671507 -0.344928 0.008234
O 3.331222 1.099739 0.363610
O 2.717302 0.631539 -1.857201
C 0.010321 -2.131456 -0.064553
C -0.768473 -1.502859 1.136163
C 0.972131 -3.238953 0.444027
C 0.726604 -1.065549 -0.903683
C -1.802585 -0.463565 0.733014
C 1.649272 -4.064545 -0.671415
C -3.076511 -0.852930 0.243930
C -1.515536 0.922898 0.817410
C -4.038122 0.103729 -0.153722
C -2.462652 1.896918 0.424883
C -3.719096 1.475940 -0.060242
C 2.585111 0.477168 -0.621096
C 4.389576 2.028778 -0.148128
C 5.072715 2.620409 1.078912
H -0.730424 -2.598637 -0.750383
H -1.260879 -2.331662 1.681212
H -0.028525 -1.053448 1.822962
H 1.743886 -2.771248 1.085636
H 0.391976 -3.922126 1.096484
H 0.020762 -0.321578 -1.313734
H 1.303172 -1.500856 -1.737726
H 2.328833 -3.449077 -1.288327
H 0.899605 -4.520776 -1.345673
H 2.253004 -4.882928 -0.238749
H -3.331560 -1.918183 0.179768
H -0.538401 1.247026 1.194579
H -5.016655 -0.217531 -0.522391
H -2.220499 2.960881 0.499785
H 3.904206 2.796865 -0.776886
H 5.084010 1.448673 -0.782327
H 5.867525 3.319596 0.761234
H 4.351235 3.174184 1.703264
H 5.531049 1.828580 1.695220


