%chk=000051846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051846

0 1
 I    5.106400      0.9847000       2.542400    
 I    3.870200      -3.502200      -1.269900    
 I   -5.616100       1.766300      0.5399000    
 I   -2.894100      -3.646100     -0.2001000    
 O  -0.2791000       1.014300      0.4973000    
 O    1.544700       2.238900      -2.368200    
 O   0.4006000       3.313400     -0.7337000    
 O   -5.216900      -1.412300      8.9100003E-02
 C   0.5918000      0.8850000     -0.6237000    
 C    1.849000      0.1929000     -0.2167000    
 C   -1.504200      0.4123000      0.3959000    
 C    2.188600      -1.031600     -0.7917000    
 C    2.685100      0.7705000      0.7386000    
 C   0.8269000       2.271800      -1.215100    
 C    3.860900      0.1235000       1.119300    
 C    3.364400      -1.678700     -0.4112000    
 C   -1.583300     -0.9626000      0.2004000    
 C   -2.660100       1.180600      0.4895000    
 C    4.200500      -1.101100      0.5443000    
 C   -3.908800      0.5673000      0.3861000    
 C   -2.831900      -1.576000      9.7300000E-02
 C   -3.994600     -0.8111000      0.1901000    
 H   9.3500003E-02  0.3278000      -1.430900    
 H    1.533600      -1.477700      -1.536600    
 H    2.414200       1.724500       1.185700    
 H  -0.6743000      -1.555100      0.1441000    
 H   -2.572200       2.253600      0.6426000    
 H    5.117700      -1.605700      0.8408000    
 H    1.676400       3.136100      -2.742200    
 H   -5.904500     -0.7298000      0.1763000    


%chk=000051846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051846

0 1
I 4.533473 2.473341 2.563354
I 5.738197 -2.609084 -0.678253
I -4.948494 0.893764 3.062003
I -4.524502 -1.172101 -2.721897
O -0.178235 0.190431 0.508634
O 0.643900 0.346723 -2.982364
O 0.382857 2.176792 -1.558178
O -5.788853 -0.234872 0.046649
C 0.694535 -0.118575 -0.624017
C 2.126541 -0.110819 -0.107401
C -1.573582 0.076163 0.318332
C 3.028144 -1.117345 -0.523296
C 2.547117 0.922626 0.765063
C 0.540816 0.955979 -1.727697
C 3.879255 0.924199 1.222267
C 4.358357 -1.080837 -0.054708
C -2.189395 -0.385248 -0.868384
C -2.355121 0.440856 1.437239
C 4.804963 -0.068524 0.823134
C -3.752490 0.339336 1.354798
C -3.595611 -0.475844 -0.925622
C -4.410942 -0.118752 0.177460
H 0.452204 -1.105006 -1.060813
H 2.696493 -1.911219 -1.198986
H 1.834207 1.690416 1.074526
H -1.606752 -0.673191 -1.746530
H -1.854190 0.795354 2.340282
H 5.835400 -0.052843 1.184433
H 0.613753 1.032521 -3.703892
H -6.247646 0.049261 0.883563


