%chk=000005991.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005991

0 1
 O   -4.638600      0.7554000      -1.120100    
 O    6.292700      0.2345000     -0.1534000    
 C   -2.246400      0.3876000     -0.5904000    
 C   -1.568700     -0.7806000      0.1613000    
 C  -6.6100001E-02 -0.8643000     -0.1173000    
 C   -3.737500      0.1400000     -0.2097000    
 C   0.6102000      0.4559000      0.3603000    
 C   -1.607300       1.701600     -0.1072000    
 C   -2.446800      -1.981600     -0.1806000    
 C  -7.4500002E-02   1.696800     -0.2712000    
 C   -3.870400      -1.401700     -0.3128000    
 C   0.5960000      -2.046800      0.5939000    
 C   -2.088900      0.3105000      -2.138200    
 C    2.125800      0.3961000      0.1867000    
 C    2.053700      -2.162300      0.1589000    
 C    2.793400     -0.8471000      0.1353000    
 C   -4.085600      0.5812000       1.155400    
 C    2.902400       1.568200      0.1634000    
 C    4.193300     -0.8862000      8.5000005E-03
 C    4.293200       1.515000      4.7300000E-02
 C    4.938600      0.2882000     -3.5700001E-02
 C   -4.368600      0.9396000       2.265600    
 H   -1.675100     -0.6191000       1.245800    
 H   0.1007000     -0.9951000      -1.194100    
 H   0.4521000      0.5358000       1.447100    
 H   -1.817900       1.870100      0.9553000    
 H   -2.032500       2.557400     -0.6452000    
 H   -2.404700      -2.749300      0.5989000    
 H   -2.138700      -2.450300      -1.122000    
 H   0.1924000       1.771100      -1.332000    
 H   0.2982000       2.614400      0.1986000    
 H   -4.302100      -1.704800      -1.274700    
 H   -4.524900      -1.816100      0.4636000    
 H   8.3499998E-02  -2.987400      0.3636000    
 H   0.5400000      -1.910900       1.681700    
 H   -1.045700      0.3255000      -2.463200    
 H   -2.537300     -0.5936000      -2.561400    
 H   -2.578200       1.167200      -2.616500    
 H    2.092000      -2.587500     -0.8523000    
 H    2.564200      -2.863900      0.8298000    
 H   -5.533400      0.4229000     -0.9326000    
 H    2.443200       2.548900      0.2432000    
 H    4.697400      -1.848700     -5.3100001E-02
 H    4.864900       2.439000      2.5800001E-02
 H   -4.618800       1.257500       3.250700    
 H    6.569300     -0.6970000     -0.1965000    


%chk=000005991-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005991

0 1
O -4.631382 0.881738 -1.138420
O 6.384917 0.350949 -0.083390
C -2.248218 0.375047 -0.607733
C -1.577741 -0.811155 0.153112
C -0.066396 -0.899672 -0.120140
C -3.752185 0.143532 -0.199441
C 0.602121 0.431399 0.347351
C -1.604034 1.699660 -0.140666
C -2.484221 -2.031980 -0.163224
C -0.060880 1.673069 -0.319232
C -3.916360 -1.420785 -0.332924
C 0.618548 -2.087174 0.588660
C -2.142702 0.251274 -2.151988
C 2.131789 0.379388 0.191438
C 2.085801 -2.203683 0.130766
C 2.824192 -0.865765 0.126584
C -4.058888 0.579153 1.181575
C 2.905309 1.571508 0.163230
C 4.238254 -0.881843 0.034472
C 4.309444 1.559742 0.070533
C 4.978585 0.318780 0.005177
C -4.393365 0.921730 2.318591
H -1.691564 -0.593011 1.239168
H 0.099583 -1.020624 -1.212610
H 0.384657 0.508894 1.439393
H -1.839058 1.861583 0.930336
H -2.031415 2.554851 -0.698613
H -2.450663 -2.784172 0.643991
H -2.155663 -2.533884 -1.093180
H 0.211597 1.698625 -1.392635
H 0.346519 2.601138 0.124271
H -4.324857 -1.625575 -1.338696
H -4.628284 -1.818498 0.410764
H 0.086961 -3.032616 0.368429
H 0.569669 -1.933909 1.686504
H -1.100553 0.375173 -2.489667
H -2.502297 -0.722526 -2.527194
H -2.756451 1.034763 -2.625687
H 2.105748 -2.621418 -0.898043
H 2.633211 -2.927222 0.765957
H -5.550140 0.888227 -0.766448
H 2.402336 2.542243 0.216618
H 4.759253 -1.849561 -0.011879
H 4.892333 2.485115 0.050002
H -4.666760 1.230420 3.310761
H 6.751751 -0.566828 -0.125374


