%chk=000065639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065639

0 1
 O    3.177300     -0.5483000      0.5344000    
 O   -1.917500     -6.7599997E-02 -0.6874000    
 O   -2.879700      0.1844000       1.492500    
 O    2.544600       3.096300      0.4784000    
 O    7.226300       1.569600      -1.070900    
 O    6.927200      -3.163800     -0.6902000    
 C    2.685000      0.7283000      0.9726000    
 C    3.041500       1.854000     -8.5000005E-03
 C    4.559400       1.949500     -0.1369000    
 C    1.184600      0.5881000       1.152000    
 C   -3.158400     -8.0799997E-02  8.3200000E-02
 C    5.175500      0.5911000     -0.2803000    
 C    4.465200     -0.5624000      6.9700003E-02
 C  -0.9783000      0.1952000      0.2596000    
 C   0.3792000      0.3138000      4.6000000E-02
 C   -1.529200      0.3390000       1.507800    
 C   0.6228000      0.7357000       2.430800    
 C   -3.790100      -1.426900     -4.0100001E-02
 C   -4.064600      0.9826000     -0.4405000    
 C  -0.7557000      0.6102000       2.617200    
 C    6.492000      0.4674000     -0.7444000    
 C    5.050300      -1.822800     -7.9899997E-02
 C    7.078900     -0.7908000     -0.8816000    
 C    6.356700      -1.935800     -0.5532000    
 C   -3.599400      -2.182800      -1.196500    
 C   -4.973500       1.606600      0.4137000    
 C   -4.570400      -1.928800       1.001200    
 C   -4.001900       1.352500      -1.783800    
 C   -4.189600      -3.441300      -1.311900    
 C   -5.820500       2.600800     -7.5700000E-02
 C   -5.160500      -3.187400      0.8858000    
 C   -4.849000       2.346900      -2.273100    
 C   -4.970100      -3.943600     -0.2708000    
 C   -5.758300       2.971000      -1.419000    
 H    3.133700      0.9420000       1.953200    
 H    2.608900       1.666700     -0.9990000    
 H    4.983900       2.444300      0.7463000    
 H    4.799100       2.583700     -0.9994000    
 H   0.7921000      0.1859000     -0.9485000    
 H    1.252600      0.9496000       3.290600    
 H   -1.196300      0.7231000       3.601200    
 H    2.803300       3.784400     -0.1582000    
 H    4.483800      -2.713900      0.1803000    
 H    8.099100     -0.8870000      -1.245100    
 H   -3.006200      -1.815000      -2.029000    
 H   -5.053700       1.333000       1.462000    
 H   -4.746500      -1.359600       1.909700    
 H   -3.312500      0.8779000      -2.476400    
 H   -4.043900      -4.029300      -2.213400    
 H   -6.530500       3.085100      0.5883000    
 H   -5.770700      -3.577700       1.695000    
 H   -4.802800       2.633600      -3.319700    
 H    8.108200       1.289100      -1.370100    
 H   -5.430800      -4.923000     -0.3611000    
 H   -6.418700       3.744300      -1.800400    
 H    6.285700      -3.842000     -0.4169000    


%chk=000065639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065639

0 1
O 3.142101 -0.516277 0.353798
O -1.916478 -0.487768 -0.544713
O -2.986606 0.322000 1.454158
O 2.718511 3.058106 1.319146
O 7.333491 1.703791 -0.723321
O 6.738662 -3.007204 -1.742852
C 2.704519 0.661712 1.152557
C 3.196578 1.962555 0.464793
C 4.734314 1.971264 0.364123
C 1.196588 0.566588 1.280402
C -3.274395 -0.220223 0.067383
C 5.257100 0.650749 -0.168288
C 4.453607 -0.514432 -0.150249
C -0.957870 0.010346 0.368199
C 0.427679 0.024664 0.210353
C -1.587377 0.497387 1.531504
C 0.561672 1.055318 2.446911
C -4.017044 -1.545043 0.185475
C -3.992453 0.865999 -0.728803
C -0.851360 1.032122 2.591750
C 6.556441 0.527671 -0.719824
C 4.906123 -1.751754 -0.665146
C 7.046414 -0.686608 -1.242159
C 6.204072 -1.820638 -1.210031
C -4.609423 -2.105752 -0.973705
C -5.317090 1.214582 -0.362258
C -4.072602 -2.249715 1.410688
C -3.354997 1.552702 -1.787368
C -5.243831 -3.363948 -0.908468
C -5.992720 2.248069 -1.043175
C -4.717693 -3.504988 1.475964
C -4.036770 2.583950 -2.473086
C -5.301611 -4.067239 0.317961
C -5.353806 2.936299 -2.102473
H 3.182822 0.606359 2.151537
H 2.737346 2.019771 -0.545441
H 5.142979 2.176003 1.374368
H 5.081182 2.797049 -0.285464
H 0.912474 -0.386620 -0.677554
H 1.171880 1.485510 3.247019
H -1.342387 1.411324 3.491351
H 3.002786 3.920030 0.923378
H 4.240904 -2.620622 -0.621950
H 8.051559 -0.778623 -1.666726
H -4.569692 -1.558354 -1.921987
H -5.810030 0.678677 0.456590
H -3.623550 -1.805784 2.303608
H -2.338188 1.268765 -2.072924
H -5.695117 -3.794124 -1.809379
H -7.014396 2.516083 -0.752092
H -4.763434 -4.043221 2.429216
H -3.539530 3.110554 -3.295329
H 8.214249 1.536755 -1.140970
H -5.799305 -5.042162 0.369963
H -5.880041 3.737136 -2.634129
H 6.081341 -3.743693 -1.682730


