%chk=000034505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034505

0 1
 I   0.8000000     -0.2565000      -2.686200    
 I   -1.908100      0.9528000       2.670300    
 I    3.839600       2.332500       1.940700    
 O   -2.755700      -2.022200     -0.6238000    
 O    5.226500     -0.1222000      -1.730200    
 O    3.903600      -1.123900     -0.1807000    
 N   -1.479100     -6.4499997E-02 -0.4024000    
 C   -2.422300      0.8323000      -1.088500    
 C   -3.782500      0.8827000     -0.4005000    
 C  -0.2407000      0.4834000      0.1137000    
 C   -4.775300       1.793300      -1.126500    
 C   -1.740700      -1.442300     -0.2300000    
 C  -0.6828000      -2.229800      0.5399000    
 C   0.8622000      0.4979000     -0.7016000    
 C   -1.037600      -3.710400      0.6841000    
 C    2.050200       1.026700     -0.1973000    
 C  -0.2363000      0.9620000       1.399600    
 C   -6.138800       1.776700     -0.4530000    
 C    2.095000       1.523200       1.105500    
 C   0.9517000       1.491000       1.903900    
 C    3.285400       1.066800      -1.046700    
 C   4.7100000E-02  -4.473800       1.426800    
 C    4.138600     -0.1757000     -0.9172000    
 H   -1.989500       1.836800      -1.162600    
 H   -2.551700      0.4428000      -2.105000    
 H   -3.701200       1.271200      0.6091000    
 H   -4.219400     -0.1174000     -0.3193000    
 H   -4.886000       1.465900      -2.166800    
 H   -4.392000       2.820000      -1.147300    
 H   0.2758000      -2.159800      1.7700000E-02
 H  -0.5673000      -1.810200       1.542600    
 H   -1.987400      -3.816700       1.221700    
 H   -1.179700      -4.159500     -0.3061000    
 H   -6.069600       2.125600      0.5823000    
 H   -6.832600       2.433700     -0.9869000    
 H   -6.562600      0.7674000     -0.4485000    
 H   0.9869000       1.878000       2.920300    
 H    3.910700       1.934800     -0.8199000    
 H    3.058500       1.228000      -2.103500    
 H    1.001900      -4.416600      0.8944000    
 H  -0.2276000      -5.529200       1.519100    
 H   0.1906000      -4.070600       2.434400    
 H    5.783000     -0.9260000      -1.648900    


%chk=000034505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034505

0 1
I 0.694215 -0.308715 -2.569660
I -1.827369 0.588187 3.004507
I 3.769343 2.614218 2.007884
O -2.838816 -2.159239 -0.552668
O 5.152260 0.348844 -2.009493
O 4.015862 -0.894880 -0.407980
N -1.523525 -0.278326 -0.230931
C -2.459622 0.515633 -1.083998
C -3.706395 1.046248 -0.345040
C -0.332933 0.347432 0.260312
C -4.699122 1.706993 -1.329316
C -1.784261 -1.657109 -0.065560
C -0.734514 -2.478049 0.688642
C 0.805554 0.532872 -0.584662
C -1.041435 -3.989173 0.669424
C 2.000449 1.185340 -0.167937
C -0.226802 0.829886 1.594985
C -5.942913 2.279554 -0.616392
C 2.029143 1.644531 1.177697
C 0.941643 1.468834 2.055459
C 3.185087 1.354406 -1.091872
C 0.007333 -4.796797 1.462105
C 4.113007 0.141054 -1.093822
H -1.886702 1.353590 -1.522762
H -2.782348 -0.149428 -1.906051
H -3.408542 1.778919 0.429523
H -4.199321 0.203284 0.173658
H -5.015602 0.958389 -2.083383
H -4.185990 2.518172 -1.886695
H 0.266401 -2.287137 0.251442
H -0.681000 -2.123202 1.738125
H -2.052595 -4.157961 1.082864
H -1.081311 -4.338588 -0.379070
H -5.655475 3.046972 0.127030
H -6.640878 2.747975 -1.334350
H -6.492044 1.482619 -0.081100
H 0.999867 1.825745 3.084829
H 3.795908 2.228621 -0.803370
H 2.868646 1.528245 -2.135248
H 1.022507 -4.657756 1.044284
H -0.222272 -5.877569 1.436813
H 0.036452 -4.483866 2.523358
H 5.758908 -0.440569 -2.004877


