%chk=000038529.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038529

0 1
 I   0.1830000       2.931500      -1.353500    
 I   -1.577400      -2.838700     -0.4963000    
 I    4.257400      -1.269300      0.3812000    
 O   -2.165500      0.8394000       1.125700    
 O   -6.286600     -0.4243000      6.7699999E-02
 O    1.440800      -3.321800       1.543600    
 O    1.934300      -3.965700     -0.5796000    
 O    2.906500       2.400100       1.715600    
 N   -3.905000       1.044200     -0.3979000    
 N    2.965000       1.553400     -0.4822000    
 C  -0.3498000     -4.6799999E-02 -0.8338000    
 C   -1.754900      0.3267000      -1.205200    
 C   0.6520000      0.9239000     -0.8304000    
 C    1.958200      0.5769000     -0.4849000    
 C  -4.5600001E-02  -1.364400     -0.4917000    
 C    1.260500      -1.711300     -0.1463000    
 C    2.262400     -0.7408000     -0.1429000    
 C   -2.600300      0.7600000     -2.0300001E-02
 C   -4.911400       1.473800      0.5445000    
 C   -5.647800      0.2776000       1.126100    
 C    1.579400      -3.094300      0.2124000    
 C    3.360800       2.374200      0.5763000    
 C    4.484100       3.295600      0.1718000    
 H   -2.273400     -0.4784000      -1.734200    
 H   -1.791900       1.111700      -1.966100    
 H   -4.177200      0.9408000      -1.371200    
 H   -5.603100       2.117300     -8.9999996E-03
 H   -4.442600       2.058700       1.342100    
 H    3.366500       1.745700      -1.397300    
 H   -4.958600     -0.4071000       1.631000    
 H   -6.410500      0.6082000       1.837500    
 H    5.300900       2.720200     -0.2731000    
 H    4.864200       3.823500       1.050800    
 H    4.115100       4.026700     -0.5528000    
 H   -6.752600      -1.178900      0.4666000    
 H    1.655600      -4.249100       1.780700    


%chk=000038529-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038529

0 1
I 0.445306 3.111700 -1.683666
I -1.786761 -2.538641 -0.324239
I 4.185161 -1.332469 0.280747
O -2.174963 1.758786 0.735182
O -6.318616 -0.691869 0.062662
O 1.259015 -3.114961 1.717480
O 1.613657 -3.936587 -0.429799
O 3.390877 1.765590 1.699974
N -4.011847 0.821417 -0.351599
N 3.075089 1.630514 -0.614990
C -0.414876 0.187289 -0.984751
C -1.801195 0.611363 -1.419890
C 0.695257 1.075193 -1.008272
C 2.001766 0.695504 -0.585422
C -0.161443 -1.123823 -0.492871
C 1.124969 -1.553341 -0.091133
C 2.206524 -0.644162 -0.161256
C -2.665609 1.105053 -0.231384
C -4.993658 1.209635 0.668420
C -5.703545 -0.024915 1.230421
C 1.361834 -2.982875 0.335183
C 3.695694 2.147314 0.540977
C 4.782867 3.177838 0.256784
H -2.309119 -0.213786 -1.949769
H -1.731198 1.458212 -2.126376
H -4.350932 0.196998 -1.087021
H -5.746575 1.891743 0.229627
H -4.450216 1.745522 1.465278
H 3.271116 2.094952 -1.505085
H -4.971171 -0.694500 1.725241
H -6.476284 0.287731 1.962334
H 5.771777 2.685971 0.304650
H 4.753150 3.947208 1.044070
H 4.682076 3.662351 -0.730374
H -6.786963 -1.514430 0.348052
H 1.431335 -4.062323 1.975712


