%chk=000047413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047413

0 1
 O   -4.199900      0.6950000      -1.537600    
 O   -4.443800     -0.8883000       1.700900    
 C   -2.305200      0.7062000     -6.4099997E-02
 C   -1.422500     -0.3955000     -0.1503000    
 C   -3.804900      0.5186000     -0.1750000    
 C  -8.2999999E-03 -0.1876000     -8.7600000E-02
 C   0.4760000       1.136800      5.5199999E-02
 C   -4.280500     -0.8666000      0.2852000    
 C    1.857400       1.388700      0.1212000    
 C   -1.793800       1.998900      7.3100001E-02
 C   -2.019300      -1.737100     -0.3081000    
 C    2.800000      0.3535000      5.3199999E-02
 C   0.9632000      -1.220300     -0.1492000    
 C  -0.4210000       2.208900      0.1336000    
 C    2.347300     -0.9714000     -8.2999997E-02
 C   -3.321000      -1.956500     -7.8800000E-02
 C    2.349800       2.805200      0.2684000    
 C    4.180500      0.6085000      0.1199000    
 C    3.288200      -2.013700     -0.1486000    
 C    5.101900     -0.4364000      5.2900001E-02
 C    4.655900      -1.746900     -8.1200004E-02
 H   -4.313600       1.289600      0.4162000    
 H   -5.253900      -1.094300     -0.1656000    
 H   -2.464300       2.853500      0.1201000    
 H   -1.393800      -2.575700     -0.5862000    
 H   0.6483000      -2.257600     -0.2474000    
 H  -0.1139000       3.246700      0.2089000    
 H   -3.711100      -2.966900     -0.1638000    
 H    3.324500       2.904200      0.7480000    
 H    2.387100       3.296600     -0.7091000    
 H    1.722100       3.391000      0.9472000    
 H    4.611700       1.600100      0.1918000    
 H    2.961700      -3.046400     -0.2539000    
 H   -3.572700      0.2162000      -2.106000    
 H   -5.114500     -0.2222000       1.928800    
 H    6.166700     -0.2270000      9.8099999E-02
 H    5.371300      -2.562300     -0.1351000    


%chk=000047413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047413

0 1
O -4.213763 0.742483 -1.604557
O -4.572579 -0.989671 1.698219
C -2.313286 0.708415 -0.034219
C -1.425444 -0.381294 -0.107930
C -3.805618 0.489077 -0.191395
C 0.013322 -0.146727 -0.056301
C 0.516077 1.221086 0.070088
C -4.309791 -0.912326 0.238229
C 1.923848 1.486773 0.121393
C -1.811971 2.040574 0.099016
C -1.987189 -1.740033 -0.221831
C 2.853520 0.401629 0.050958
C 0.953141 -1.201210 -0.116744
C -0.446045 2.292258 0.148846
C 2.345935 -0.963742 -0.067683
C -3.316770 -2.005590 -0.065999
C 2.390420 2.928753 0.253082
C 4.288296 0.572482 0.095100
C 3.274769 -2.064471 -0.133696
C 5.155719 -0.513535 0.028081
C 4.646668 -1.852336 -0.087755
H -4.368851 1.256604 0.369122
H -5.253063 -1.083640 -0.323810
H -2.528256 2.869008 0.146514
H -1.308746 -2.576749 -0.414594
H 0.619737 -2.240456 -0.195112
H -0.097131 3.323246 0.249615
H -3.693562 -3.032796 -0.108207
H 3.484853 3.023531 0.251364
H 2.009239 3.550788 -0.578367
H 2.025156 3.382931 1.193729
H 4.713872 1.575617 0.184424
H 2.872170 -3.080796 -0.220883
H -3.570913 0.274363 -2.198346
H -5.390246 -0.462466 1.895916
H 6.238568 -0.350443 0.064218
H 5.343515 -2.695840 -0.138384


