%chk=000146759.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146759

0 1
 O  -0.5130000     -0.8920000      0.1962000    
 O    2.048300      3.2000002E-02   1.173600    
 O   -2.021800      0.7710000     -0.4417000    
 O   0.5897000      -2.511500      -1.768800    
 O    3.982800     -0.4404000     -0.1053000    
 O   -2.689200      -2.659700      0.6526000    
 O    3.125400      -3.039700     -0.5169000    
 O   -5.153500      -1.293900       1.306300    
 O   -4.220800       1.325100       1.294900    
 O    1.303700       2.649300       1.450400    
 O   -2.330000       2.971400      -2.055100    
 C   0.4899000     -0.3548000     -0.6696000    
 C    1.385700      -1.487300      -1.179300    
 C    1.322100      0.6705000      0.1117000    
 C   -1.823800     -0.6358000     -0.3070000    
 C   -2.830200      -1.239300      0.6752000    
 C    2.196000      -2.079400     -2.6100000E-02
 C   -4.259800     -0.8694000      0.2809000    
 C   -4.395000      0.6367000      5.4699998E-02
 C   -3.324200       1.110600     -0.9339000    
 C    2.953000     -0.9795000      0.7224000    
 C   0.4599000       1.757800      0.7442000    
 C   -3.353100       2.620400      -1.140700    
 C    4.701300      0.5830000      0.5657000    
 C    5.767200       1.130700     -0.3710000    
 C    6.589200       2.224300      0.2868000    
 H   3.7799999E-02  0.1323000      -1.544000    
 H    2.057500      -1.112900      -1.961400    
 H    2.046700       1.148900     -0.5591000    
 H   -1.914900      -1.121500      -1.288300    
 H   -2.619800     -0.9186000       1.702500    
 H    1.516000      -2.602100      0.6580000    
 H   -4.544700      -1.405700     -0.6329000    
 H   -5.401800      0.8766000     -0.3029000    
 H   -3.453500      0.6190000      -1.907100    
 H    3.430200      -1.421800       1.605500    
 H  -0.2407000       1.347600       1.477100    
 H  -8.6999997E-02   2.332300     -6.2000002E-03
 H   -4.314200       2.948600      -1.547100    
 H   -3.157600       3.164600     -0.2113000    
 H    1.191100      -3.221700      -2.050900    
 H   -1.765400      -2.863700      0.8784000    
 H    3.616300      -3.389600      0.2461000    
 H   -5.021900      -2.249400       1.430400    
 H   -3.287300       1.252900       1.555800    
 H    4.035900       1.399700      0.8651000    
 H    5.172400      0.1686000       1.464800    
 H    1.918200       3.045900      0.8095000    
 H   -1.491000       2.620400      -1.712900    
 H    6.424800      0.3160000     -0.6968000    
 H    5.292800       1.517600      -1.280900    
 H    7.102000       1.847800       1.177700    
 H    7.347200       2.599100     -0.4081000    
 H    5.955800       3.066000      0.5845000    


%chk=000146759-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146759

0 1
O -0.562189 -0.218673 0.135155
O 2.080362 0.812031 1.105556
O -2.491055 1.088839 0.037013
O 0.563443 -2.566060 -0.967914
O 4.001268 -0.425133 0.302973
O -2.172709 -2.538910 -0.900268
O 2.601869 -2.931007 0.814508
O -4.916777 -2.388020 -0.069782
O -4.716248 0.099424 1.562171
O 1.649605 3.552761 -0.081767
O -3.463858 3.670668 -0.549953
C 0.633717 -0.115509 -0.715593
C 1.423291 -1.431592 -0.603772
C 1.529902 1.059112 -0.247286
C -1.852276 -0.129859 -0.497822
C -2.657147 -1.396084 -0.137821
C 1.948694 -1.616418 0.827448
C -4.143776 -1.235149 -0.505702
C -4.726084 0.062611 0.097188
C -3.895320 1.240741 -0.470100
C 2.867505 -0.428667 1.193486
C 0.765225 2.388411 -0.171799
C -4.340123 2.630096 -0.005938
C 5.067188 0.521266 0.717338
C 6.171656 0.473099 -0.340510
C 7.356411 1.391433 0.033653
H 0.332476 0.048072 -1.771454
H 2.291284 -1.394066 -1.291870
H 2.375772 1.137123 -0.966493
H -1.756363 -0.046023 -1.606452
H -2.554227 -1.569008 0.955175
H 1.095279 -1.603781 1.534489
H -4.195669 -1.142199 -1.616934
H -5.790668 0.151297 -0.179868
H -3.875731 1.211666 -1.580718
H 3.183195 -0.451176 2.256752
H 0.163135 2.404657 0.748088
H 0.082403 2.469616 -1.045684
H -5.345264 2.851421 -0.401734
H -4.377606 2.660779 1.100857
H 1.049669 -3.384660 -0.682713
H -1.164395 -2.597656 -0.841989
H 2.839081 -3.208330 1.733250
H -4.413142 -3.192334 -0.364055
H -3.774747 0.238805 1.850002
H 4.638210 1.538871 0.813617
H 5.455663 0.208321 1.710772
H 2.147925 3.652440 -0.932463
H -2.540586 3.458383 -0.254401
H 6.516519 -0.572033 -0.450078
H 5.748634 0.774896 -1.317527
H 7.815295 1.084000 0.991854
H 8.141584 1.353880 -0.741788
H 7.034401 2.444625 0.136602


