%chk=000016279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016279

0 1
 I    3.518800       4.201800     -5.3700000E-02
 I    4.642000      -3.444000      0.2285000    
 O   -4.324400       1.300100      0.5610000    
 N    2.104000      8.5100003E-02 -9.9999998E-03
 N   -3.427000     -0.7349000     -0.2211000    
 C   0.7098000     -0.1217000     -6.3299999E-02
 C    2.641400       1.346800      0.4592000    
 C    3.017700     -0.9664000     -0.4105000    
 C  -0.1612000      0.8915000      0.3370000    
 C   0.2021000      -1.339500     -0.5156000    
 C    2.771600       2.313200     -0.7116000    
 C    3.332200      -1.853400      0.7880000    
 C   -2.047800     -0.5309000     -0.1674000    
 C   -1.540100      0.6869000      0.2851000    
 C   -1.176700      -1.544200     -0.5677000    
 C   -4.447900      0.1568000      0.1338000    
 C   -5.814400     -0.4474000     -7.1699999E-02
 H    3.644900       1.172100      0.8729000    
 H    2.088400       1.764800       1.307600    
 H    3.955800     -0.5068000     -0.7531000    
 H    2.677200      -1.526900      -1.287900    
 H   0.1669000       1.865800      0.6812000    
 H   0.8216000      -2.173700     -0.8242000    
 H    3.445500       1.900700      -1.471600    
 H    1.804300       2.466300      -1.202800    
 H    3.797600      -1.263700       1.586400    
 H    2.415700      -2.280800       1.209500    
 H   -2.151700       1.518200      0.6072000    
 H   -1.559300      -2.499300     -0.9189000    
 H   -3.717800      -1.648900     -0.5623000    
 H   -5.958000     -0.6844000      -1.129600    
 H   -6.584700      0.2627000      0.2416000    
 H   -5.910400      -1.359600      0.5238000    


%chk=000016279-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016279

0 1
I 3.693233 4.305367 0.020050
I 4.667578 -3.602238 0.123130
O -4.409464 1.322113 0.449139
N 2.156356 0.101510 -0.008932
N -3.497872 -0.742982 -0.195583
C 0.751804 -0.091989 -0.053506
C 2.740563 1.368157 0.463475
C 3.086663 -0.962644 -0.419617
C -0.156280 0.958138 0.273650
C 0.187313 -1.348130 -0.427719
C 2.828825 2.384819 -0.693497
C 3.347403 -1.926657 0.756240
C -2.097658 -0.479473 -0.136265
C -1.550966 0.775432 0.238361
C -1.205840 -1.530651 -0.469211
C -4.560364 0.118249 0.084457
C -5.937505 -0.525653 -0.089099
H 3.753336 1.174521 0.859463
H 2.151258 1.783922 1.299332
H 4.040831 -0.508158 -0.740378
H 2.693210 -1.512613 -1.292498
H 0.213994 1.948012 0.556686
H 0.824474 -2.199715 -0.682999
H 3.502255 2.049178 -1.496366
H 1.843597 2.647054 -1.105457
H 3.881329 -1.441849 1.587309
H 2.428535 -2.407529 1.121494
H -2.224668 1.595514 0.492608
H -1.600578 -2.513209 -0.759772
H -3.750858 -1.692210 -0.480780
H -6.108335 -0.832333 -1.137867
H -6.704153 0.210707 0.190440
H -6.051916 -1.418360 0.553514


