%chk=000028353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028353

0 1
 I   -4.104500      -2.971100      0.7901000    
 I   -4.126300       2.997200     -0.4859000    
 O   -5.176000     -2.5500000E-02 -8.1000002E-03
 O   0.5676000      0.7972000      -2.190900    
 O   0.4832000      -1.457900      -1.935800    
 C   -1.084700      0.1222000      0.6099000    
 C    1.304000     -4.5000002E-02 -0.1324000    
 C    2.734500      1.5699999E-02  0.1233000    
 C   0.3679000      0.1744000      0.8285000    
 C   -1.763000       1.278800      0.2534000    
 C   -1.754800      -1.083100      0.7620000    
 C    3.230600      0.8635000       1.113600    
 C    3.610400     -0.7738000     -0.6220000    
 C   -3.133000      -1.132700      0.5533000    
 C   -3.141200       1.229200      4.4799998E-02
 C   -3.826200      2.3399999E-02  0.1949000    
 C    4.602600      0.9216000       1.358700    
 C    4.982200     -0.7157000     -0.3767000    
 C   0.7484000     -0.3504000      -1.494300    
 C    5.478400      0.1319000      0.6136000    
 H   0.6453000      0.3829000       1.858600    
 H   -1.218600       2.214000      0.1404000    
 H   -1.204000      -1.978600       1.041800    
 H    2.584200       1.510800       1.700200    
 H    3.252500      -1.448800      -1.395000    
 H    4.990000       1.585400       2.126100    
 H    5.664300      -1.331500     -0.9558000    
 H    6.546600      0.1779000      0.8039000    
 H   -5.477500     -0.9384000      0.1402000    
 H   0.2009000      0.6296000      -3.085100    


%chk=000028353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028353

0 1
I -4.281559 -2.078090 2.796584
I -4.398431 1.841920 -1.952896
O -5.392350 -0.129045 0.341605
O 0.504782 1.682472 -2.136034
O 1.518642 -0.269510 -2.849923
C -1.130030 -0.050879 0.381643
C 1.348512 0.160430 -0.441181
C 2.780176 0.041778 -0.017100
C 0.340029 -0.082653 0.466278
C -1.892605 0.713501 -0.550080
C -1.841915 -0.829726 1.341605
C 3.161992 0.485866 1.282448
C 3.784516 -0.498993 -0.869309
C -3.243700 -0.870629 1.336818
C -3.294719 0.668066 -0.541698
C -4.009634 -0.129803 0.393566
C 4.495440 0.367009 1.725753
C 5.118230 -0.612359 -0.422055
C 1.136334 0.449620 -1.898418
C 5.481777 -0.185843 0.876069
H 0.700006 -0.448635 1.439194
H -1.375665 1.370174 -1.250271
H -1.282960 -1.414744 2.078318
H 2.417679 0.961541 1.931037
H 3.511652 -0.852913 -1.867861
H 4.767593 0.722587 2.725782
H 5.873887 -1.041903 -1.089138
H 6.519142 -0.273077 1.217318
H -5.774552 -0.718093 1.048957
H 0.441531 1.825132 -3.121713


