%chk=000011350.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011350

0 1
 I    4.409200      -2.621300     -0.4254000    
 I    3.842800       3.370500      0.5870000    
 O  -0.4744000      -1.715600       1.942200    
 O   -1.336300      -2.602700      3.8500000E-02
 O    5.170500      0.4324000      0.3253000    
 C   -1.219100     -0.1644000      0.2738000    
 C  -0.3195000      0.1306000     -0.9632000    
 C   -2.655200      0.1865000      7.5800002E-02
 C    1.149300      0.2112000     -0.6180000    
 C   -1.021100      -1.624700      0.7010000    
 C    1.696100       1.433300     -0.2628000    
 C    1.920700     -0.9384000     -0.6641000    
 C   -3.247100      2.1600001E-02  -1.176400    
 C   -3.406500      0.6791000       1.143000    
 C    3.276900     -0.8639000     -0.3464000    
 C    3.052300       1.508000      5.5000000E-02
 C   -4.590100      0.3496000      -1.361600    
 C   -4.749600       1.006900      0.9577000    
 C    3.842700      0.3594000      1.3300000E-02
 C   -5.341400      0.8421000     -0.2948000    
 H  -0.8423000      0.4673000       1.092200    
 H  -0.6142000       1.082000      -1.427600    
 H  -0.4561000     -0.6336000      -1.740500    
 H    1.067500       2.319800     -0.2320000    
 H    1.469700      -1.885200     -0.9501000    
 H   -2.696600     -0.3756000      -2.023700    
 H   -2.959500      0.8101000       2.124900    
 H   -5.052400      0.2175000      -2.335500    
 H   -5.335100       1.389500       1.788600    
 H   -6.387500       1.096100     -0.4387000    
 H  -0.3594000      -2.648500       2.222800    
 H    5.384600       1.354400      0.5490000    


%chk=000011350-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011350

0 1
I 4.460601 -2.517652 -1.186362
I 4.137055 3.149898 1.213353
O -0.901166 -1.841108 1.997601
O -0.824905 -2.451012 -0.239121
O 5.339306 0.220837 0.184041
C -1.201658 -0.075946 0.373214
C -0.343751 0.410684 -0.842043
C -2.698633 0.163676 0.126373
C 1.154228 0.378738 -0.577806
C -0.952932 -1.559598 0.631281
C 1.797836 1.483808 0.031990
C 1.933180 -0.757840 -0.916255
C -3.389390 -0.539406 -0.894469
C -3.398556 1.124889 0.896195
C 3.315244 -0.789274 -0.653040
C 3.179865 1.443377 0.292185
C -4.754917 -0.278442 -1.140843
C -4.764772 1.388055 0.647321
C 3.973609 0.312122 -0.042582
C -5.447042 0.687521 -0.373389
H -0.897031 0.474589 1.280058
H -0.668455 1.440514 -1.078114
H -0.591928 -0.222046 -1.712615
H 1.218794 2.375056 0.292946
H 1.448615 -1.619646 -1.384401
H -2.863242 -1.299837 -1.483944
H -2.875195 1.665179 1.694490
H -5.279898 -0.829797 -1.928930
H -5.294642 2.133940 1.250218
H -6.506596 0.888890 -0.566204
H -0.768718 -2.819829 2.130077
H 5.683994 1.053661 0.608077


