%chk=000071976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071976

0 1
 O    7.585100       1.261200     -6.5099999E-02
 O    6.651400      -1.961800     -0.7851000    
 O    7.585700      -1.359200       1.212500    
 C    6.535000      0.2870000     -0.1202000    
 C    5.255500      0.7597000      0.4991000    
 C    7.033600      0.9761000      -1.357100    
 C    4.008900      0.1415000     -0.1392000    
 C    2.703800      0.6840000      0.4517000    
 C    1.450900      6.2199999E-02 -0.1736000    
 C    6.983700      -1.078900      0.1869000    
 C   0.1462000      0.5838000      0.4327000    
 C   -1.070400     -9.2500001E-02 -0.2051000    
 C   -2.375800      0.4570000      0.3738000    
 C   -3.627200     -0.1912000     -0.2253000    
 C   -4.965900      0.3049000      0.3313000    
 C   -6.221500     -0.3010000     -0.3050000    
 C   -7.522300      0.1752000      0.3462000    
 C   -8.779600     -0.3603000     -0.3469000    
 C   -10.08190      0.1358000      0.2827000    
 C   -11.29540     -0.4834000     -0.3942000    
 H    5.267700      0.5298000       1.571900    
 H    5.183500       1.852900      0.4247000    
 H    6.418600       1.739000      -1.817400    
 H    7.654500      0.4256000      -2.052800    
 H    4.021600      0.3301000      -1.219900    
 H    4.036200     -0.9478000     -1.4000000E-02
 H    2.695200      0.4984000       1.532800    
 H    2.670300       1.772000      0.3161000    
 H    1.453800      0.2594000      -1.252900    
 H    1.495200      -1.027300     -5.0900001E-02
 H   8.5800000E-02   1.669100      0.2877000    
 H   0.1445000      0.4006000       1.513900    
 H   -1.056600      6.8400003E-02  -1.289800    
 H   -1.021000      -1.175100     -3.7400000E-02
 H   -2.382900      0.3048000       1.460200    
 H   -2.421100       1.540100      0.2059000    
 H   -3.569700      -1.276800     -7.5800002E-02
 H   -3.620000     -2.8800000E-02  -1.310600    
 H   -4.985800      0.1055000       1.410200    
 H   -5.008800       1.395700      0.2188000    
 H   -6.166600      -1.394400     -0.2390000    
 H   -6.234400     -4.8500001E-02  -1.372300    
 H   -7.531600     -0.1295000       1.399900    
 H   -7.549500       1.271800      0.3334000    
 H   -8.758000      -1.456900     -0.3195000    
 H   -8.758500     -7.0600003E-02  -1.405000    
 H    6.952500      -2.871100     -0.5733000    
 H   -10.09780     -0.1164000       1.349200    
 H   -10.13880       1.227600      0.2057000    
 H   -11.32350     -0.2281000      -1.458400    
 H   -11.28250      -1.574100     -0.3022000    
 H   -12.21620     -0.1145000      6.8300001E-02


%chk=000071976-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071976

0 1
O 7.752045 1.265848 -0.054037
O 8.050475 -1.560604 -0.697513
O 6.451691 -1.888211 0.954088
C 6.580332 0.291423 -0.162481
C 5.282785 0.739638 0.486532
C 7.114274 0.987891 -1.383967
C 4.031581 0.110249 -0.174346
C 2.717044 0.627462 0.450973
C 1.457430 -0.003729 -0.182606
C 6.987979 -1.139331 0.106930
C 0.138716 0.527390 0.422868
C -1.122292 -0.109352 -0.203455
C -2.441690 0.433379 0.390216
C -3.703193 -0.205429 -0.233242
C -5.022696 0.344416 0.353778
C -6.284553 -0.294355 -0.269090
C -7.603953 0.259966 0.314264
C -8.866447 -0.377866 -0.308362
C -10.185494 0.179005 0.274616
C -11.441748 -0.462712 -0.353378
H 5.302787 0.477573 1.560658
H 5.232874 1.842785 0.415705
H 6.521335 1.816701 -1.792602
H 7.747289 0.436814 -2.086806
H 4.032474 0.332584 -1.261584
H 4.076453 -0.991126 -0.069535
H 2.723909 0.417998 1.540624
H 2.667553 1.731740 0.345590
H 1.460691 0.187452 -1.276333
H 1.499425 -1.106014 -0.059563
H 0.094593 1.629423 0.294522
H 0.137217 0.342200 1.517415
H -1.115226 0.065946 -1.299849
H -1.084075 -1.210266 -0.065174
H -2.448138 0.261270 1.487016
H -2.480825 1.534011 0.248930
H -3.667547 -1.305401 -0.086514
H -3.693615 -0.038659 -1.330938
H -5.032316 0.178671 1.451582
H -5.058310 1.444329 0.206142
H -6.251135 -1.393885 -0.118414
H -6.273160 -0.131662 -1.367375
H -7.615479 0.097468 1.412599
H -7.637085 1.359557 0.163406
H -8.835916 -1.477384 -0.156584
H -8.856089 -0.216424 -1.406875
H 8.318497 -2.480867 -0.430674
H -10.194942 0.016847 1.371958
H -10.214552 1.277545 0.123243
H -11.470559 -0.289619 -1.445929
H -11.452087 -1.556812 -0.188116
H -12.370426 -0.046871 0.079287


