%chk=000068570.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068570

0 1
 O    4.403100      0.7948000      -1.343600    
 O   -5.841600      3.3199999E-02  0.2703000    
 C    2.678600      0.6466000      0.4091000    
 C    2.048600     -0.6053000     -0.2378000    
 C   0.5622000     -0.7443000      9.8399997E-02
 C  -0.1982000      0.4964000     -0.4590000    
 C    4.158300      0.4476000      1.5699999E-02
 C    1.965600       1.878300     -0.1678000    
 C    2.998500      -1.730800      0.1568000    
 C   0.4408000       1.816700      4.6700001E-02
 C    4.390300      -1.070000      0.1685000    
 C  -5.7799999E-02  -2.012800     -0.4915000    
 C    2.594900      0.6792000       1.956900    
 C   -1.701900      0.3754000     -0.2273000    
 C   -1.493500      -2.165400      1.8000000E-03
 C   -2.301000     -0.8917000     -5.4400001E-02
 C   -2.538000       1.505300     -0.2688000    
 C   -3.692400     -0.9904000      0.1238000    
 C   -3.919600       1.392200     -9.9500000E-02
 C   -4.496800      0.1451000      0.1016000    
 H    2.108500     -0.5181000      -1.333700    
 H   0.4373000     -0.7927000       1.188000    
 H  -7.8900002E-02  0.4950000      -1.553600    
 H    4.849300       1.030400      0.6323000    
 H    2.152100       1.957400      -1.246200    
 H    2.362900       2.796500      0.2813000    
 H    2.963300      -2.562300     -0.5546000    
 H    2.757400      -2.134300       1.146600    
 H   0.2021000       1.964900       1.106500    
 H   9.3000000E-03   2.673400     -0.4839000    
 H    4.881300      -1.289900       1.123300    
 H    5.020200      -1.473900     -0.6316000    
 H   0.5104000      -2.904400     -0.2040000    
 H  -4.2399999E-02  -1.964300      -1.588000    
 H    3.103100       1.571100       2.342400    
 H    1.567500      0.7113000       2.328100    
 H    3.073800     -0.1868000       2.424100    
 H   -1.478100      -2.507600       1.044700    
 H   -1.986500      -2.944400     -0.5924000    
 H    3.966000      0.1518000      -1.925100    
 H   -2.133300       2.498000     -0.4414000    
 H   -4.143100      -1.968800      0.2789000    
 H   -4.538200       2.285100     -0.1304000    
 H   -6.067300     -0.9045000      0.3959000    


%chk=000068570-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068570

0 1
O 4.451972 0.910685 -1.412317
O -5.949046 0.135441 0.166014
C 2.693725 0.646786 0.409495
C 2.056580 -0.639074 -0.211640
C 0.560638 -0.781637 0.116941
C -0.191466 0.468240 -0.440292
C 4.185411 0.469569 -0.026300
C 1.955726 1.889182 -0.138174
C 3.046979 -1.768520 0.169989
C 0.423111 1.793694 0.098025
C 4.449721 -1.063965 0.154973
C -0.083528 -2.061450 -0.456900
C 2.664058 0.650701 1.963313
C -1.711314 0.352744 -0.233360
C -1.527177 -2.207344 0.063043
C -2.334972 -0.913985 -0.033168
C -2.546613 1.501490 -0.295830
C -3.743609 -0.993248 0.101788
C -3.945263 1.426970 -0.161621
C -4.545625 0.165609 0.040066
H 2.111708 -0.512858 -1.322258
H 0.434584 -0.810783 1.221102
H -0.008735 0.463463 -1.541585
H 4.875786 1.094236 0.564405
H 2.159957 1.982171 -1.222945
H 2.346034 2.813080 0.332661
H 3.002764 -2.620430 -0.531324
H 2.812581 -2.166894 1.175523
H 0.186665 1.891021 1.176177
H -0.051211 2.659221 -0.401314
H 5.002111 -1.258333 1.091694
H 5.091623 -1.419816 -0.670762
H 0.504402 -2.954853 -0.172771
H -0.079100 -2.006985 -1.565277
H 3.190131 1.548363 2.339393
H 1.636014 0.680811 2.361229
H 3.162333 -0.234655 2.396544
H -1.492208 -2.525235 1.126565
H -2.054466 -3.015141 -0.480794
H 3.909185 0.357181 -2.030752
H -2.098801 2.487308 -0.456790
H -4.210577 -1.977497 0.253402
H -4.576317 2.318927 -0.212531
H -6.266970 -0.791188 0.303466


