%chk=000086267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086267

0 1
 O    3.614400       1.212500     -0.8335000    
 O    6.141200      0.3294000     -7.8999996E-03
 O    9.018500      -1.780000     -0.3265000    
 O    6.899200      -2.259200      0.3563000    
 C   -5.162400      8.5600004E-02 -6.8300001E-02
 C   -6.515900     -0.4330000      0.4226000    
 C   -3.979000     -0.4304000      0.7565000    
 C   -7.660200      9.2900001E-02 -0.4486000    
 C   -2.619500      2.9400000E-02  0.2191000    
 C   -9.009700     -0.4567000      1.9300001E-02
 C   -1.442100     -0.4834000       1.057600    
 C   -10.19290      6.2600002E-02 -0.8003000    
 C  -9.4400004E-02 -3.1900000E-02  0.5535000    
 C   -11.52830     -0.5356000     -0.3851000    
 C   0.5979000     -0.8062000     -0.3776000    
 C   0.4598000       1.160700       1.018500    
 C    1.844300     -0.3881000     -0.8436000    
 C    1.706300       1.578800      0.5527000    
 C    2.398500      0.8045000     -0.3783000    
 C    4.415200       1.987000      5.8100000E-02
 C    5.879200       1.710600     -0.2248000    
 C    7.498000      7.8999996E-03 -0.2803000    
 C    7.732200      -1.457500     -3.9299998E-02
 H   -5.163000       1.182400     -4.7300000E-02
 H   -5.022700     -0.2109000      -1.115400    
 H   -6.671100     -0.1252000       1.463600    
 H   -6.514100      -1.529600      0.4056000    
 H   -4.003300      -1.527100      0.7736000    
 H   -4.091500     -9.4200000E-02   1.794600    
 H   -7.492500     -0.1938000      -1.493700    
 H   -7.677300       1.188800     -0.4117000    
 H   -2.596500       1.126200      0.1893000    
 H   -2.506100     -0.3121000     -0.8176000    
 H   -9.164100     -0.1953000       1.073600    
 H   -8.989400      -1.552400     -3.5000000E-02
 H   -1.563000     -0.1579000       2.099100    
 H   -1.464400      -1.580500       1.090700    
 H   -10.24720       1.153800     -0.7079000    
 H   -10.02420     -0.1582000      -1.861100    
 H   -11.52270      -1.623500     -0.5048000    
 H   -12.33580     -0.1285000      -1.001600    
 H   -11.74920     -0.3062000      0.6621000    
 H   0.1755000      -1.736100     -0.7488000    
 H  -7.4199997E-02   1.776300       1.737600    
 H    2.379000     -0.9952000      -1.569000    
 H    2.088300       2.527600      0.9178000    
 H    4.197600       3.050100     -9.0700001E-02
 H    4.226300       1.709600       1.103200    
 H    6.105600       1.955000      -1.269100    
 H    6.509500       2.317600      0.4345000    
 H    7.723600      0.2287000      -1.329000    
 H    8.152400      0.5796000      0.3863000    
 H    9.198900      -2.732800     -0.1783000    


%chk=000086267-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086267

0 1
O 3.657870 0.511315 -0.505819
O 6.633446 0.669523 0.065420
O 9.910928 -0.681196 -0.746830
O 8.613597 -0.971091 1.167698
C -5.257260 -0.082784 -0.097541
C -6.695584 -0.427689 0.350632
C -4.166827 -0.717760 0.794666
C -7.783142 0.191934 -0.555915
C -2.732813 -0.339911 0.362326
C -9.223168 -0.132750 -0.098644
C -1.637651 -0.998408 1.247130
C -10.308763 0.477777 -1.014438
C -0.227877 -0.601686 0.834783
C -11.744595 0.155896 -0.546353
C 0.422168 -1.242733 -0.255607
C 0.466575 0.441752 1.491021
C 1.707941 -0.856337 -0.675459
C 1.759377 0.848859 1.085649
C 2.380966 0.195546 -0.006061
C 4.401761 1.582299 0.168844
C 5.755449 1.695289 -0.513161
C 7.877755 0.548096 -0.665789
C 8.778944 -0.442093 0.056664
H -5.130323 1.020103 -0.101595
H -5.110542 -0.415085 -1.146580
H -6.847043 -0.080476 1.394280
H -6.819601 -1.530852 0.369836
H -4.277087 -1.822651 0.779516
H -4.326392 -0.404934 1.848117
H -7.639627 -0.167245 -1.596706
H -7.649257 1.293747 -0.587362
H -2.610208 0.761594 0.397561
H -2.571149 -0.635834 -0.694234
H -9.371369 0.235344 0.938378
H -9.357102 -1.234271 -0.058459
H -1.817513 -0.713495 2.302610
H -1.755649 -2.099361 1.191266
H -10.170883 1.577614 -1.058855
H -10.163079 0.105032 -2.049044
H -11.917179 -0.936786 -0.520424
H -12.500926 0.601596 -1.218577
H -11.925666 0.546975 0.472826
H -0.085619 -2.062885 -0.778550
H -0.006415 0.949315 2.341088
H 2.212368 -1.355631 -1.508634
H 2.262039 1.656150 1.626849
H 3.844874 2.538466 0.079012
H 4.547839 1.343129 1.240956
H 5.632018 1.545780 -1.606969
H 6.189935 2.704082 -0.334576
H 7.716642 0.187916 -1.704724
H 8.423015 1.517553 -0.733109
H 10.519504 -1.312634 -0.276414


