%chk=000166035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166035

0 1
 O    5.390300      0.9078000     -0.5958000    
 O   -5.378500      0.6416000     -0.1074000    
 C    2.157700     -0.7683000     -0.2774000    
 C    2.992200      0.5113000     -8.8900000E-02
 C   0.8022000     -0.7094000      0.4337000    
 C  -1.9099999E-02  0.5048000     -0.1099000    
 C   -1.414400      0.6155000      0.6218000    
 C    2.217100       1.671800     -0.7235000    
 C   0.8154000       1.818400     -0.1040000    
 C    4.264100      9.1700003E-02 -0.8539000    
 C    3.132900      -1.888300      7.7799998E-02
 C   3.3500001E-02  -2.026800      0.2525000    
 C    4.492500      -1.373600     -0.4305000    
 C   -2.099500     -0.7573000      0.6382000    
 C   -2.356000       1.634400     -0.1007000    
 C    3.325800      0.8514000       1.385200    
 C   -1.438800      -1.916300      0.4829000    
 C   -1.248000       1.088600       2.085900    
 C   -3.605400     -0.7332000      0.7116000    
 C   -3.232600      0.9733000      -1.170100    
 C   -4.201900     -5.3100001E-02 -0.5395000    
 C   -4.629300      -1.084200      -1.587900    
 H    1.942100     -0.8840000      -1.353300    
 H   0.9727000     -0.5795000       1.508100    
 H  -0.2279000      0.2917000      -1.170400    
 H    2.105700       1.507100      -1.803200    
 H    2.768800       2.612800     -0.6108000    
 H   0.9247000       2.197800      0.9159000    
 H   0.2923000       2.600200     -0.6637000    
 H    4.085100      0.1165000      -1.936800    
 H    2.862100      -2.835500     -0.3994000    
 H    3.169900      -2.060500       1.159200    
 H   0.4441000      -2.780500      0.9352000    
 H   0.1772000      -2.412700     -0.7648000    
 H    5.258600      -1.460500      0.3480000    
 H    4.839100      -1.963500      -1.286400    
 H   -1.789900       2.448700     -0.5602000    
 H   -3.020200       2.120200      0.6275000    
 H    2.434500      0.9894000       2.002700    
 H    3.926900      7.3100001E-02   1.865900    
 H    3.902000       1.782100       1.443000    
 H   -1.994900      -2.850300      0.4592000    
 H   -2.205600       1.084900       2.620300    
 H  -0.5691000      0.4475000       2.656300    
 H  -0.8698000       2.114500       2.138200    
 H   -4.021200      -1.742100      0.8305000    
 H   -3.908800     -0.1997000       1.621900    
 H   -3.795400       1.752500      -1.698300    
 H   -2.582000      0.4904000      -1.910100    
 H    5.152900       1.818500     -0.8399000    
 H   -5.394000      -1.757400      -1.183900    
 H   -5.079900     -0.5920000      -2.457400    
 H   -3.782500      -1.686500      -1.932300    
 H   -5.792600       1.048000     -0.8878000    


%chk=000166035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166035

0 1
O 5.504356 0.881239 -0.628953
O -5.414430 0.719448 -0.094787
C 2.161533 -0.756666 -0.254895
C 3.012303 0.537464 -0.076517
C 0.793318 -0.713541 0.454343
C -0.025149 0.511622 -0.075935
C -1.428702 0.627427 0.630589
C 2.205448 1.716286 -0.670277
C 0.808295 1.825600 -0.002443
C 4.278779 0.110730 -0.886110
C 3.158898 -1.904838 0.061251
C 0.025812 -2.040244 0.237786
C 4.531422 -1.366307 -0.470845
C -2.127911 -0.746854 0.629465
C -2.373385 1.625532 -0.140872
C 3.408421 0.822690 1.394450
C -1.463769 -1.922297 0.468338
C -1.290183 1.121260 2.102733
C -3.641729 -0.689504 0.714757
C -3.200659 0.907037 -1.225215
C -4.237754 -0.058282 -0.581916
C -4.701476 -1.130093 -1.586110
H 1.935962 -0.825188 -1.347051
H 0.954538 -0.584495 1.544412
H -0.228001 0.308068 -1.153980
H 2.079077 1.555778 -1.762774
H 2.744942 2.678299 -0.542267
H 0.941823 2.120626 1.055118
H 0.249348 2.651496 -0.482592
H 4.025705 0.172317 -1.970015
H 2.866765 -2.853795 -0.421868
H 3.201674 -2.096116 1.150262
H 0.453204 -2.829635 0.888870
H 0.195616 -2.396294 -0.803951
H 5.311005 -1.377006 0.311259
H 4.914579 -1.959073 -1.319229
H -1.779376 2.446780 -0.581637
H -3.077589 2.096138 0.573148
H 2.528952 1.019793 2.030672
H 3.966054 -0.017928 1.841780
H 4.070264 1.706009 1.442742
H -2.040819 -2.859962 0.463630
H -2.255360 1.024505 2.632363
H -0.542274 0.534082 2.664393
H -0.998900 2.187119 2.141210
H -4.074904 -1.691822 0.881697
H -3.971004 -0.046777 1.553359
H -3.734801 1.637529 -1.865266
H -2.526583 0.330487 -1.889551
H 5.373748 1.807385 -0.956120
H -5.536734 -1.714992 -1.161047
H -5.040239 -0.673096 -2.537152
H -3.873239 -1.823218 -1.822673
H -5.891772 1.086581 -0.883280


