%chk=000105459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105459

0 1
 O  -0.9855000      0.7847000      0.8332000    
 O  -0.5132000     -0.8289000     -0.7969000    
 O   -6.338700      7.1400002E-02 -0.2697000    
 C    4.120500      0.3734000     -0.3411000    
 C    3.282400       1.645300     -0.1537000    
 C    3.573900     -0.7729000      0.5205000    
 C    1.262500      0.2430000      0.4283000    
 C    1.801400       1.390600     -0.4261000    
 C    2.093300      -1.027300      0.2463000    
 C    5.588300      0.6416000     -1.3500000E-02
 C    6.452900     -0.5801000     -0.3096000    
 C  -0.1636000     -2.3300000E-02  5.5700000E-02
 C    7.925000     -0.2971000     -1.0800000E-02
 C    8.800000      -1.497500     -0.3346000    
 C   -2.342100      0.6041000      0.5537000    
 C   -2.927000       1.384900     -0.4184000    
 C   -3.042000     -0.3480000       1.261100    
 C   -4.281800       1.204500     -0.6973000    
 C   -4.396700     -0.5284000      0.9819000    
 C   -5.016600      0.2478000      2.7999999E-03
 C   -6.872900      -1.236900     -7.3600002E-02
 C   -8.020000      -1.450800      -1.038000    
 H    4.047600      7.5800002E-02  -1.396500    
 H    3.642100       2.433200     -0.8262000    
 H    3.400500       2.023100      0.8700000    
 H    3.712700     -0.5448000       1.584800    
 H    4.101100      -1.710300      0.3197000    
 H    1.302100      0.5202000       1.490200    
 H    1.232100       2.307100     -0.2285000    
 H    1.661000       1.165700      -1.491800    
 H    1.985400      -1.414600     -0.7754000    
 H    1.725800      -1.815200      0.9155000    
 H    5.945700       1.490300     -0.6102000    
 H    5.696200      0.9268000       1.040600    
 H    6.153300      -1.435200      0.3038000    
 H    6.338500     -0.8720000      -1.360600    
 H    8.266300      0.5626000     -0.5993000    
 H    8.047800     -3.5900000E-02   1.046800    
 H    8.724700      -1.763900      -1.393700    
 H    8.507600      -2.368600      0.2606000    
 H    9.848300      -1.272600     -0.1148000    
 H   -2.355000       2.129700     -0.9628000    
 H   -2.560600     -0.9471000       2.027600    
 H   -4.759200       1.812000      -1.461400    
 H   -4.938300      -1.264200       1.569000    
 H   -7.233200      -1.327800      0.9570000    
 H   -6.126800      -2.016700     -0.2724000    
 H   -7.677700      -1.349300      -2.073200    
 H   -8.798100     -0.6956000     -0.8851000    
 H   -8.461500      -2.442800     -0.9078000    


%chk=000105459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105459

0 1
O -1.001169 0.323063 0.385324
O -0.305271 -1.819244 -0.304091
O -6.627732 0.277780 -0.019776
C 4.284109 0.046170 -0.419045
C 3.273746 1.127172 -0.880915
C 3.783545 -0.606139 0.895760
C 1.354867 -0.085740 0.296267
C 1.842359 0.566629 -1.036647
C 2.351793 -1.173574 0.763683
C 5.710197 0.637528 -0.286551
C 6.824313 -0.408155 -0.048322
C -0.036277 -0.663886 0.092463
C 8.241614 0.209603 -0.044363
C 9.353262 -0.837134 0.185650
C -2.416768 0.164869 0.234874
C -3.143960 1.342757 0.531100
C -3.085579 -1.016379 -0.154055
C -4.544260 1.345790 0.436369
C -4.497660 -1.008921 -0.247961
C -5.230413 0.166978 0.044664
C -7.394070 -0.918384 -0.422198
C -8.868072 -0.522653 -0.411379
H 4.311742 -0.745978 -1.201182
H 3.604728 1.562756 -1.844669
H 3.267656 1.956131 -0.141590
H 3.809228 0.157797 1.702609
H 4.466447 -1.419389 1.206430
H 1.284311 0.714728 1.057790
H 1.143378 1.369534 -1.337588
H 1.829562 -0.202397 -1.835147
H 2.337229 -2.005014 0.033004
H 2.019948 -1.596425 1.731365
H 5.948673 1.201036 -1.213694
H 5.720796 1.381187 0.539057
H 6.659327 -0.929583 0.916098
H 6.768406 -1.186879 -0.838026
H 8.414416 0.729456 -1.009069
H 8.297001 0.989669 0.742431
H 9.337642 -1.610530 -0.605431
H 9.219940 -1.349705 1.157172
H 10.356245 -0.371924 0.184070
H -2.597660 2.241600 0.831778
H -2.521749 -1.921378 -0.380864
H -5.125997 2.244836 0.659475
H -5.003979 -1.930137 -0.550122
H -7.192795 -1.742981 0.292651
H -7.070399 -1.240560 -1.433574
H -9.054308 0.303636 -1.118350
H -9.175055 -0.193377 0.595892
H -9.494808 -1.384238 -0.705268


