%chk=000158729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158729

0 1
 O   0.5251000       2.316000       1.059900    
 O    2.102400      0.2415000      0.2467000    
 O    3.693600     -0.7116000      -1.170900    
 O   0.9278000       3.339300      -2.458500    
 O  -0.3856000       5.601000      -1.270300    
 O   -1.825100       2.039800      0.9168000    
 O   -2.153100       4.826600      0.8864000    
 O    2.978000      -1.485200       2.343500    
 O    4.170300      -3.923700       1.389900    
 O    3.853200      -3.551700      -1.353400    
 C   0.8053000       2.161300     -0.3360000    
 C   0.7864000       3.519000      -1.051300    
 C  -0.5284000       4.259400     -0.7980000    
 C  -0.8502000       4.287000      0.6948000    
 C  -0.7559000       2.893900       1.319100    
 C    2.164600       1.475600     -0.4442000    
 C    3.343600     -0.4601000      0.1888000    
 C    3.175600      -1.772400      0.9593000    
 C    4.423600      -2.642500      0.8201000    
 C    4.832500      -2.790700     -0.6445000    
 C    4.926800      -1.422400      -1.307600    
 C   -1.712000      0.7555000       1.510400    
 C   -2.857400     -8.8399999E-02   1.051000    
 C   -2.701300      -1.249300      0.3959000    
 C   -3.796700      -2.120200     -6.2300000E-02
 C   -5.050400      -1.996000      0.5156000    
 C   -3.554000      -3.048200      -1.062800    
 C   -6.088100      -2.821100      8.1900001E-02
 C   -4.591900      -3.873100      -1.496500    
 C   -5.858900      -3.759500     -0.9241000    
 H   5.7599999E-02   1.488700     -0.7764000    
 H    1.626800       4.137100     -0.7102000    
 H   -1.347400       3.810300      -1.373000    
 H  -0.1391000       4.960800       1.190000    
 H  -0.8395000       3.014800       2.406600    
 H    2.937400       2.101400      1.8400000E-02
 H    2.414300       1.317400      -1.498900    
 H    4.112500      0.1648000      0.6631000    
 H    2.288800      -2.319100      0.6160000    
 H    5.251200      -2.198600       1.387500    
 H    5.782000      -3.329800     -0.7290000    
 H    5.110800      -1.533000      -2.381100    
 H    5.739600     -0.8235000     -0.8813000    
 H   0.9026000       4.220500      -2.869200    
 H   -1.216600       6.066800      -1.074800    
 H   -2.330400       4.831600       1.842500    
 H    2.199600     -0.9060000       2.410900    
 H    3.896900      -3.783500       2.312600    
 H  -0.7603000      0.2811000       1.248100    
 H   -1.760700      0.8500000       2.601500    
 H    3.766000      -4.406600     -0.8979000    
 H   -3.841800      0.3093000       1.278300    
 H   -1.695900      -1.597700      0.1692000    
 H   -5.269000      -1.295800       1.315600    
 H   -2.572900      -3.147800      -1.519400    
 H   -7.073600      -2.736700      0.5307000    
 H   -4.413700      -4.604000      -2.279900    
 H   -6.666600      -4.402700      -1.261000    


%chk=000158729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158729

0 1
O 0.666488 2.366532 1.152241
O 2.252673 0.231859 -0.023361
O 3.939166 -0.731062 -1.374040
O 1.032891 3.461560 -2.401799
O -0.609903 5.527682 -1.293963
O -1.711832 1.970551 0.888745
O -2.219075 4.819900 0.937169
O 2.861245 -1.530753 2.143193
O 4.397783 -3.856081 1.443823
O 4.358975 -3.773413 -1.283971
C 0.933211 2.230986 -0.309207
C 0.804323 3.619438 -0.966179
C -0.595730 4.187429 -0.693859
C -0.873896 4.248999 0.814081
C -0.700801 2.840735 1.433313
C 2.323594 1.641858 -0.461028
C 3.512205 -0.440860 0.003975
C 3.285707 -1.759436 0.757202
C 4.602555 -2.536781 0.832757
C 5.174588 -2.787780 -0.578376
C 5.208833 -1.483404 -1.395020
C -1.685512 0.603734 1.491038
C -2.929885 -0.115739 1.064225
C -2.908496 -1.304542 0.396848
C -4.066530 -2.113182 -0.032831
C -5.416361 -1.757749 0.253846
C -3.828885 -3.308593 -0.768403
C -6.483146 -2.566878 -0.184153
C -4.896541 -4.119936 -1.207600
C -6.230248 -3.752577 -0.917108
H 0.190028 1.545795 -0.760301
H 1.551853 4.317600 -0.527955
H -1.362800 3.542669 -1.168608
H -0.124673 4.909411 1.300593
H -0.734407 2.859653 2.543856
H 3.051588 2.190596 0.172652
H 2.630306 1.690806 -1.520520
H 4.292193 0.185986 0.508126
H 2.528621 -2.338897 0.191564
H 5.323295 -1.942032 1.434307
H 6.218192 -3.159869 -0.475284
H 5.381728 -1.719737 -2.455952
H 6.036362 -0.842354 -1.017643
H 0.740427 4.304983 -2.836220
H -1.484919 5.941222 -1.079363
H -2.440878 4.970303 1.889423
H 2.092180 -0.904142 2.119384
H 3.838656 -3.727254 2.252826
H -0.771637 0.072947 1.160929
H -1.643554 0.722726 2.597583
H 4.143545 -4.479194 -0.615869
H -3.875368 0.375770 1.327500
H -1.924203 -1.724677 0.137271
H -5.632754 -0.846513 0.822492
H -2.795634 -3.596832 -0.999220
H -7.515041 -2.277636 0.045146
H -4.689646 -5.034468 -1.774353
H -7.062451 -4.379757 -1.255321


