%chk=000101308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101308

0 1
 O   -1.002000      -1.984800     -0.2668000    
 O   -2.588500       1.165700     -0.5442000    
 O   -2.252400      -2.326800       1.641300    
 O   -4.603400      0.4857000      0.3503000    
 C    2.695100      -1.671100      0.3818000    
 C  -0.1061000       2.395100      0.2760000    
 C    3.919900      -1.410400     -0.4994000    
 C    1.173900       3.199400      3.2400001E-02
 C    1.382600      -1.712500     -0.3990000    
 C   -1.382300       3.173100     -4.1099999E-02
 C    5.236300      -1.393600      0.2789000    
 C    2.451700       2.412400      0.3263000    
 C   0.1915000      -1.941200      0.5221000    
 C   -2.627500       2.345200      0.2472000    
 C    6.411500      -1.059500     -0.6274000    
 C    3.689900       3.276000      0.1391000    
 C   -3.319900      -2.195900     -0.5432000    
 C   -3.460300     -0.8819000      -1.308500    
 C   -2.160300      -2.185600      0.4298000    
 C   -3.649700      0.3106000     -0.3956000    
 H    2.635600     -0.8890000       1.149000    
 H    2.830600      -2.622800      0.9105000    
 H  -0.1294000       2.071300       1.324100    
 H  -6.5200001E-02   1.484400     -0.3338000    
 H    3.791200     -0.4517000      -1.016000    
 H    3.972500      -2.181900      -1.277700    
 H    1.150800       4.100100      0.6587000    
 H    1.192200       3.539900      -1.010400    
 H    1.240100     -0.7762000     -0.9525000    
 H    1.417500      -2.505800      -1.155800    
 H   -1.414700       4.097500      0.5463000    
 H   -1.369500       3.452700      -1.101500    
 H    5.403000      -2.370100      0.7477000    
 H    5.181400     -0.6511000       1.083400    
 H    2.509700       1.545700     -0.3403000    
 H    2.428200       2.032700       1.354200    
 H   0.1144000      -1.122800       1.247600    
 H   0.3053000      -2.891000       1.057500    
 H   -3.520000       2.928500     -6.5000001E-03
 H   -2.665200       2.077200       1.309600    
 H    7.343200      -1.054900     -5.3100001E-02
 H    6.287900     -7.1300000E-02  -1.082000    
 H    6.510200      -1.797700      -1.429700    
 H    3.676500       4.134300      0.8183000    
 H    4.592200       2.692200      0.3464000    
 H    3.755700       3.650000     -0.8875000    
 H   -3.189900      -3.037300      -1.232300    
 H   -4.231900      -2.388600      3.4200002E-02
 H   -2.583200     -0.7188000      -1.946200    
 H   -4.325300     -0.9233000      -1.980100    


%chk=000101308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101308

0 1
O -1.020900 -1.943862 -0.065126
O -2.951557 1.480104 -1.132305
O -2.055962 -3.186046 1.610640
O -3.148337 0.530450 0.996992
C 2.792031 -1.805882 0.246776
C -0.306370 2.519291 0.220113
C 3.894620 -1.202288 -0.651847
C 1.156335 2.984708 0.040766
C 1.376466 -1.655627 -0.358485
C -1.288289 3.279353 -0.698840
C 5.307526 -1.306113 -0.033814
C 2.141344 2.293067 1.010910
C 0.303651 -2.242506 0.558299
C -2.752465 2.845917 -0.551346
C 6.400722 -0.681178 -0.927038
C 3.606277 2.733112 0.800075
C -3.437170 -2.106599 -0.121397
C -3.374689 -0.869367 -1.032087
C -2.139165 -2.467480 0.590164
C -3.144768 0.415748 -0.249675
H 2.821884 -1.311307 1.240385
H 3.010809 -2.879046 0.426415
H -0.613603 2.654536 1.276973
H -0.375288 1.432011 0.016033
H 3.662541 -0.134416 -0.848330
H 3.886763 -1.709868 -1.638907
H 1.215056 4.083908 0.188931
H 1.478046 2.795922 -1.005231
H 1.156785 -0.583687 -0.530037
H 1.331354 -2.154397 -1.345787
H -1.240284 4.365305 -0.472296
H -0.984724 3.164064 -1.758148
H 5.546324 -2.372474 0.156470
H 5.307409 -0.805505 0.956114
H 2.063524 1.193538 0.887168
H 1.834454 2.507953 2.054588
H 0.319228 -1.785689 1.565469
H 0.399213 -3.337775 0.675819
H -3.425819 3.490609 -1.141124
H -3.069558 2.826734 0.507096
H 7.401591 -0.772082 -0.466553
H 6.203990 0.394425 -1.097810
H 6.437216 -1.176581 -1.915740
H 3.718280 3.823852 0.947921
H 4.288425 2.224679 1.506451
H 3.947081 2.498698 -0.226774
H -3.734607 -2.989450 -0.720635
H -4.200151 -1.982013 0.665564
H -2.575733 -0.964446 -1.786354
H -4.325609 -0.760197 -1.588350


