%chk=000085339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085339

0 1
 O   -1.307500      -3.543400      7.9999998E-04
 O   0.9525000      -3.785700     -9.9999997E-05
 C    2.549100       1.190400       0.000000    
 C   -2.448900       1.294800       0.000000    
 C    1.201700      0.4495000      9.9999997E-05
 C   -1.173300      0.5221000       0.000000    
 C   4.8999999E-02   1.194200      3.0000001E-04
 C    3.354200      0.8039000      -1.259400    
 C    3.356000      0.8017000       1.257800    
 C    2.415700       2.730200      1.6000000E-03
 C   -3.309500      0.9657000       1.259100    
 C   -3.310600      0.9646000      -1.258100    
 C   -2.290900       2.851700     -8.9999998E-04
 C    1.213100     -0.9229000     -9.9999997E-05
 C   -1.202300     -0.8725000     -3.9999999E-04
 C  -9.1000004E-03  -1.595000     -3.0000001E-04
 C  -3.9200000E-02  -3.049300     -3.0000001E-04
 H   7.0100002E-02   2.272000      6.0000003E-04
 H    4.301800       1.353600      -1.305700    
 H    3.604400     -0.2622000      -1.285800    
 H    2.792100       1.032800      -2.172700    
 H    3.606800     -0.2643000       1.281700    
 H    4.303400       1.351600       1.303900    
 H    2.795000       1.028700       2.172200    
 H    3.405400       3.204300      1.9000000E-03
 H    1.895800       3.100000     -0.8902000    
 H    1.896200       3.098200      0.8944000    
 H   -4.233200       1.555900       1.276000    
 H   -3.600800     -8.9800000E-02   1.292700    
 H   -2.753500       1.184600       2.178400    
 H   -3.602300     -9.0800002E-02  -1.290400    
 H   -4.234000       1.555000      -1.274900    
 H   -2.755100       1.182400      -2.178000    
 H   -3.270000       3.346400     -1.1000000E-03
 H   -1.757300       3.203300      0.8900000    
 H   -1.757400       3.202400     -0.8921000    
 H    2.139800      -1.487400     -3.0000001E-04
 H   -2.161900      -1.380900     -5.0000002E-04
 H   -1.317000      -4.524400      1.4000000E-03


%chk=000085339-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085339

0 1
O -1.317778 -3.630644 0.000190
O 0.995190 -3.799412 -0.000278
C 2.633872 1.213947 -0.000248
C -2.570679 1.347105 0.000393
C 1.259308 0.501594 -0.000187
C -1.233824 0.564277 0.000111
C 0.029386 1.211344 0.000050
C 3.431378 0.790326 -1.271048
C 3.431638 0.790028 1.270287
C 2.504458 2.758468 -0.000056
C -3.388801 0.965753 1.271220
C -3.389226 0.966009 -1.270232
C -2.361628 2.883042 0.000504
C 1.204370 -0.911288 -0.000367
C -1.252999 -0.850810 -0.000076
C -0.041808 -1.583297 -0.000332
C -0.026858 -3.069086 -0.000579
H 0.056972 2.302841 0.000186
H 4.426285 1.273789 -1.274372
H 3.585458 -0.302459 -1.310664
H 2.896891 1.090856 -2.190950
H 3.585711 -0.302769 1.309621
H 4.426551 1.273478 1.273522
H 2.897344 1.090351 2.190370
H 3.511883 3.213085 -0.000116
H 1.972789 3.126649 -0.897174
H 1.972993 3.126444 0.897266
H -4.356926 1.501065 1.275621
H -3.600395 -0.117475 1.310880
H -2.838428 1.237463 2.190633
H -3.600780 -0.117220 -1.310085
H -4.357382 1.501269 -1.274169
H -2.839191 1.237970 -2.189775
H -3.344768 3.388181 0.000673
H -1.812047 3.223707 0.897641
H -1.812277 3.223860 -0.896715
H 2.114305 -1.520963 -0.000561
H -2.195730 -1.404969 -0.000047
H -1.226958 -4.621106 0.000464


