%chk=000086051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086051

0 1
 O    4.693600      0.5947000      5.0900001E-02
 O    2.569300      0.1306000     -0.9006000    
 C    4.141600      -1.679900     -0.6241000    
 C    3.958200     -0.1868000     -0.8933000    
 C    3.797000      -2.030700      0.8208000    
 C    4.540500      -1.110400       1.780700    
 C    4.319100      0.3481000       1.405900    
 C   0.8192000       1.635000      -1.600900    
 C   0.2311000       1.759400     -0.1922000    
 C    2.316600       1.353500      -1.577100    
 C   -1.278000       2.008900     -0.2416000    
 C   -1.860200       2.174100       1.166600    
 C   -3.374100       2.397500       1.162000    
 C   -4.096300       1.268300      0.5608000    
 C   -4.745100      -2.153300     -3.0600000E-02
 C   -5.345600     -0.8317000     -0.5147000    
 C   -3.279600      -2.327100     -0.4405000    
 C   -4.668200      0.3309000      7.4800000E-02
 C   -2.739200      -3.681100     -6.8000001E-03
 H    3.517200      -2.273000      -1.301400    
 H    5.189500      -1.950100     -0.8032000    
 H    4.380900      1.9200001E-02  -1.884400    
 H    2.716300      -1.929000      0.9780000    
 H    4.054600      -3.075700       1.025400    
 H    5.612300      -1.337100       1.724500    
 H    4.217200      -1.292600       2.810900    
 H    4.935300      0.9917000       2.041900    
 H    3.274600      0.6437000       1.558100    
 H   0.3109000      0.8151000      -2.123000    
 H   0.6316000       2.555000      -2.166300    
 H   0.4260000      0.8443000      0.3798000    
 H   0.7253000       2.582900      0.3373000    
 H    2.679400       1.287000      -2.609500    
 H    2.842800       2.173000      -1.073900    
 H   -1.484400       2.912100     -0.8288000    
 H   -1.755400       1.169600     -0.7598000    
 H   -1.625000       1.282900       1.762700    
 H   -1.379000       3.025800       1.662600    
 H   -3.608600       3.318500      0.6156000    
 H   -3.716700       2.543000       2.192900    
 H   -5.337800      -2.977500     -0.4462000    
 H   -4.828000      -2.220100       1.061800    
 H   -5.290100     -0.7782000      -1.608100    
 H   -6.408700     -0.8053000     -0.2487000    
 H   -2.658300      -1.543600      7.1999999E-03
 H   -3.185000      -2.235200      -1.528800    
 H   -3.308100      -4.496000     -0.4655000    
 H   -1.692500      -3.785700     -0.3092000    
 H   -2.791800      -3.794100       1.080700    


%chk=000086051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086051

0 1
O 4.818078 0.674697 -0.114147
O 2.686044 -0.026427 -1.030143
C 4.249841 -1.740714 -0.383734
C 4.112540 -0.314588 -0.939179
C 3.824800 -1.808942 1.102012
C 4.598381 -0.751103 1.925091
C 4.394475 0.643326 1.307659
C 0.872719 1.475621 -1.645195
C 0.337935 1.649037 -0.206079
C 2.386362 1.252118 -1.711100
C -1.184128 1.906471 -0.160044
C -1.725777 2.052480 1.277981
C -3.256550 2.328078 1.340974
C -4.077904 1.240192 0.772447
C -4.924184 -2.186071 -0.051709
C -5.558193 -0.781150 -0.268711
C -3.564321 -2.363863 -0.762318
C -4.754643 0.323136 0.293893
C -2.952713 -3.762295 -0.531031
H 3.641543 -2.421992 -1.005153
H 5.310631 -2.040615 -0.483790
H 4.594367 -0.198371 -1.931607
H 2.738195 -1.613011 1.177928
H 4.007382 -2.823588 1.501750
H 5.679146 -0.994157 1.929548
H 4.253091 -0.740779 2.977365
H 5.018636 1.410773 1.794333
H 3.327698 0.940596 1.376134
H 0.362437 0.620510 -2.130763
H 0.631056 2.377625 -2.244756
H 0.581457 0.739318 0.376455
H 0.871468 2.492060 0.283013
H 2.734675 1.188555 -2.765300
H 2.937437 2.073086 -1.209351
H -1.422864 2.825444 -0.736623
H -1.716982 1.074810 -0.663507
H -1.500702 1.132082 1.852073
H -1.203116 2.886906 1.788883
H -3.475058 3.272276 0.800904
H -3.553133 2.496477 2.395800
H -5.637035 -2.950651 -0.422618
H -4.798940 -2.362403 1.034759
H -5.700446 -0.614872 -1.356337
H -6.569503 -0.763257 0.184977
H -2.865098 -1.583957 -0.401898
H -3.696086 -2.189137 -1.849987
H -3.622847 -4.558774 -0.907174
H -1.980281 -3.867544 -1.046112
H -2.785487 -3.946812 0.547087


