%chk=000068574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068574

0 1
 I   -5.055100       2.632300     -0.1555000    
 O    5.201400       1.434900      0.2786000    
 O   -5.588800     -0.5243000      0.4796000    
 C    2.859300      0.6725000      0.1571000    
 C    2.285400     -0.6485000     -0.3935000    
 C   0.8312000     -0.8644000      2.4599999E-02
 C  -3.2499999E-02  0.2957000     -0.5571000    
 C    4.302700      0.5549000     -0.3685000    
 C    2.048400       1.829900     -0.4384000    
 C    3.337300      -1.682900     -3.1000001E-03
 C   0.5416000       1.680500     -0.1532000    
 C    4.670300     -0.9214000     -0.1211000    
 C   0.2694000      -2.198700     -0.4699000    
 C    2.856700      0.7881000       1.703000    
 C   -1.512900      9.3099996E-02 -0.2454000    
 C   -1.129300      -2.414300      0.1000000    
 C   -2.019500      -1.198100      2.0400001E-02
 C   -2.421700       1.164600     -0.3026000    
 C   -3.391700      -1.374100      0.2721000    
 C   -3.783800      0.9742000     -5.9700001E-02
 C   -4.268500     -0.2941000      0.2325000    
 H    2.297500     -0.6042000      -1.495600    
 H   0.7604000     -0.8630000       1.119900    
 H   3.5900000E-02  0.2424000      -1.654800    
 H    4.339600      0.7661000      -1.444700    
 H    2.191600       1.865500      -1.526400    
 H    2.403200       2.792300     -5.0400000E-02
 H    3.319200      -2.556000     -0.6632000    
 H    3.189900      -2.039200       1.022500    
 H   0.3406000       1.870100      0.9081000    
 H   3.3000000E-02   2.478200     -0.7067000    
 H    5.273700      -1.050200      0.7845000    
 H    5.265600      -1.304800     -0.9573000    
 H   0.9076000      -3.035900     -0.1659000    
 H   0.2317000      -2.207800      -1.566900    
 H    3.281400       1.748400       2.018300    
 H    1.851800      0.7335000       2.129700    
 H    3.449100      2.6000000E-03   2.182500    
 H   -1.044200      -2.699600       1.156500    
 H   -1.597500      -3.252600     -0.4300000    
 H    6.094300       1.233500     -4.9600001E-02
 H   -2.067600       2.161600     -0.5488000    
 H   -3.775300      -2.367000      0.4988000    
 H   -6.062600      0.3226000      0.4133000    


%chk=000068574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068574

0 1
I -5.129366 2.709100 -0.192892
O 5.206917 1.544967 0.269100
O -5.677949 -0.533057 0.433897
C 2.878195 0.676338 0.153262
C 2.299471 -0.665776 -0.398116
C 0.836469 -0.886788 0.023559
C -0.020109 0.286909 -0.551458
C 4.329487 0.561917 -0.381882
C 2.048096 1.843145 -0.430597
C 3.378714 -1.723979 -0.039263
C 0.534768 1.677645 -0.122283
C 4.729299 -0.927946 -0.116168
C 0.247325 -2.230895 -0.454517
C 2.905730 0.750430 1.703105
C -1.514914 0.086623 -0.251278
C -1.156757 -2.441251 0.147114
C -2.048143 -1.206788 0.038951
C -2.414033 1.182095 -0.309971
C -3.433455 -1.361608 0.257881
C -3.792828 1.010177 -0.089184
C -4.326782 -0.269951 0.201459
H 2.296391 -0.572508 -1.510037
H 0.774019 -0.867893 1.132987
H 0.100871 0.229442 -1.659446
H 4.316478 0.752544 -1.479560
H 2.191336 1.871780 -1.532134
H 2.407546 2.812072 -0.034613
H 3.361256 -2.582022 -0.734374
H 3.212528 -2.126465 0.977936
H 0.341571 1.829941 0.957446
H -0.010511 2.482172 -0.651807
H 5.277417 -0.981511 0.842704
H 5.397095 -1.320734 -0.904831
H 0.905558 -3.069559 -0.158587
H 0.194434 -2.233080 -1.562878
H 3.466236 1.648638 2.012677
H 1.890986 0.808910 2.132102
H 3.409856 -0.122863 2.153274
H -1.050072 -2.703315 1.220669
H -1.660516 -3.303849 -0.329569
H 6.118747 1.461492 -0.106374
H -2.035918 2.182494 -0.533718
H -3.857564 -2.346984 0.480232
H -6.209075 0.306391 0.370878


