%chk=000094310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094310

0 1
 O   0.4575000     -0.2746000      2.0600000E-02
 O    1.512700      -2.066100       1.008500    
 C   -1.935300      9.6799999E-02 -0.1617000    
 C   -3.293500     -0.6195000     -6.0000001E-03
 C   -1.881200       1.497500      0.4886000    
 C   -4.468000      0.1538000     -0.6145000    
 C  -0.8127000     -0.8256000      0.3410000    
 C   -5.812600     -0.5572000     -0.4396000    
 C   -2.100800       1.520500       1.995000    
 C   -6.986500      0.2175000      -1.018700    
 C    1.541100     -0.9999000      0.4138000    
 C    2.801100     -0.3189000      2.2600001E-02
 C    3.915700      -1.084500     -0.2520000    
 C    2.818300       1.058700     -5.3800002E-02
 C    5.099500     -0.4444000     -0.6192000    
 C    4.002000       1.698800     -0.4210000    
 C    5.142700      0.9472000     -0.7037000    
 H   -1.763000      0.2565000      -1.235600    
 H   -3.494000     -0.8193000       1.053400    
 H   -3.238200      -1.599700     -0.4972000    
 H   -2.613600       2.158500      1.2300000E-02
 H  -0.9039000       1.950100      0.2788000    
 H   -4.280100      0.3195000      -1.682200    
 H   -4.548700       1.140700     -0.1463000    
 H  -0.8978000      -1.801900     -0.1528000    
 H  -0.8894000     -0.9852000       1.422400    
 H   -5.767000      -1.542500     -0.9185000    
 H   -5.996200     -0.7305000      0.6275000    
 H   -3.083700       1.124700       2.265000    
 H   -2.049500       2.551600       2.360300    
 H   -1.334900      0.9477000       2.525100    
 H   -7.918700     -0.3357000     -0.8683000    
 H   -7.087000       1.193700     -0.5341000    
 H   -6.854800      0.3791000      -2.093200    
 H    3.893600      -2.168600     -0.1930000    
 H    1.948500       1.667300      0.1745000    
 H    5.987500      -1.029600     -0.8399000    
 H    4.036900       2.782500     -0.4838000    
 H    6.064500       1.445600     -0.9890000    


%chk=000094310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094310

0 1
O 0.442424 -0.291173 -0.160176
O 1.507430 -2.129379 0.798012
C -1.975227 0.081916 -0.222072
C -3.356519 -0.614806 -0.071212
C -1.842886 1.404489 0.587543
C -4.557316 0.256549 -0.503619
C -0.873733 -0.927574 0.135743
C -5.898984 -0.510785 -0.463886
C -2.077890 1.277830 2.110084
C -7.103377 0.362561 -0.876800
C 1.574765 -1.006849 0.235351
C 2.839488 -0.280512 -0.083471
C 4.067808 -0.890801 0.281217
C 2.841675 0.985194 -0.725848
C 5.288255 -0.240124 0.007783
C 4.065582 1.632445 -0.997768
C 5.289449 1.022870 -0.631840
H -1.844611 0.341685 -1.294347
H -3.501629 -0.939309 0.979882
H -3.355405 -1.542703 -0.681557
H -2.553554 2.145013 0.171872
H -0.829909 1.812889 0.410137
H -4.384865 0.638336 -1.531962
H -4.633227 1.147643 0.151576
H -0.952960 -1.850865 -0.468258
H -0.891039 -1.216452 1.202750
H -5.834048 -1.393924 -1.131946
H -6.061331 -0.907477 0.559327
H -3.102462 0.933690 2.342545
H -1.937764 2.257085 2.603224
H -1.369243 0.570886 2.579454
H -8.049325 -0.208446 -0.841487
H -7.209564 1.234626 -0.204135
H -6.979091 0.747495 -1.906679
H 4.039887 -1.867544 0.775622
H 1.888981 1.444338 -1.003930
H 6.234967 -0.712507 0.291198
H 4.067569 2.609541 -1.493108
H 6.238180 1.528748 -0.843920


