%chk=000099472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099472

0 1
 O    4.663500      -1.981500      0.4840000    
 O    5.821200     -0.1468000     -0.2160000    
 O   -6.082400     -0.1857000      0.9975000    
 C    1.445900      0.9544000      0.3579000    
 C    2.314400     -0.2596000     -3.5300002E-02
 C   6.0199998E-02  0.9342000     -0.2956000    
 C  -0.6849000     -0.3647000      0.1452000    
 C   -2.145300     -0.4623000     -0.4434000    
 C    1.605500      -1.524100      0.4682000    
 C    3.609800      0.1027000      0.7241000    
 C   0.1764000      -1.635500     -9.2799999E-02
 C    2.366900       2.143600      0.1067000    
 C  -0.7610000       2.169700      9.3999997E-02
 C    3.755800       1.625400      0.5216000    
 C   -2.888600      0.8558000     -0.1906000    
 C    2.576900     -0.3771000      -1.559500    
 C   -2.149000       2.127900     -0.5320000    
 C   -2.882200      -1.633600      0.2694000    
 C   -2.138400     -0.7279000      -1.965800    
 C    4.822400     -0.6517000      0.2748000    
 C   -4.390900      -1.609800      8.0700003E-02
 C   -4.142600      0.9316000      0.2859000    
 C   -4.953500     -0.2848000      0.5209000    
 H    1.280500      0.9237000       1.448300    
 H   0.1747000      0.9447000      -1.384800    
 H  -0.7967000     -0.2882000       1.239400    
 H    1.551200      -1.515400       1.564600    
 H    2.162700      -2.426200      0.1923000    
 H    3.494000     -8.2699999E-02   1.801200    
 H   0.2312000      -1.862000      -1.162200    
 H  -0.2975000      -2.502200      0.3810000    
 H    2.079100       3.020300      0.6958000    
 H    2.364700       2.437700     -0.9488000    
 H  -0.2529000       3.082000     -0.2396000    
 H  -0.8497000       2.236300       1.186100    
 H    4.492000       1.902300     -0.2405000    
 H    4.075100       2.096400       1.458700    
 H    3.146900      0.4714000      -1.951400    
 H    3.150700      -1.282600      -1.787600    
 H    1.656000     -0.4379000      -2.145100    
 H   -2.062000       2.206600      -1.622700    
 H   -2.707600       3.013500     -0.2047000    
 H   -2.675500      -1.593100       1.348100    
 H   -2.504300      -2.601000     -8.2300000E-02
 H   -1.515900     -1.0700000E-02  -2.509500    
 H   -1.764100      -1.730300      -2.198700    
 H   -3.146600     -0.6582000      -2.390900    
 H   -4.841400      -2.399300      0.6924000    
 H   -4.674000      -1.783800     -0.9621000    
 H   -4.631300       1.883600      0.4639000    
 H    5.447100      -2.494500      0.1924000    


%chk=000099472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099472

0 1
O 4.885309 -1.961725 0.919108
O 5.729661 -0.377599 -0.546814
O -6.197162 -0.251374 1.037227
C 1.456147 0.971598 0.324454
C 2.318553 -0.274880 -0.053822
C 0.051197 0.958999 -0.316359
C -0.693533 -0.343727 0.123855
C -2.165042 -0.455400 -0.455708
C 1.588189 -1.535919 0.460116
C 3.646527 0.098337 0.716655
C 0.155401 -1.624056 -0.130603
C 2.399315 2.173731 0.075400
C -0.766600 2.202931 0.096077
C 3.813297 1.636701 0.486496
C -2.916897 0.854845 -0.155229
C 2.603753 -0.379046 -1.575998
C -2.201221 2.152028 -0.482668
C -2.884904 -1.651843 0.243002
C -2.163578 -0.668005 -2.004072
C 4.851244 -0.705509 0.282387
C -4.419209 -1.643992 0.083676
C -4.194624 0.879708 0.345400
C -5.026537 -0.322487 0.550732
H 1.296904 0.908316 1.426851
H 0.159285 0.971055 -1.421844
H -0.815235 -0.255866 1.229375
H 1.526010 -1.493489 1.567545
H 2.154742 -2.452776 0.209360
H 3.472339 -0.121369 1.787091
H 0.222711 -1.824036 -1.216745
H -0.351179 -2.499347 0.316084
H 2.110942 3.063241 0.662391
H 2.382859 2.467724 -0.991409
H -0.262966 3.124600 -0.251787
H -0.815569 2.257233 1.203347
H 4.565270 1.821435 -0.299781
H 4.179843 2.124524 1.406890
H 3.203998 0.470228 -1.944782
H 3.170901 -1.301609 -1.799184
H 1.673314 -0.415276 -2.166529
H -2.130488 2.250106 -1.587370
H -2.797597 3.012557 -0.128303
H -2.643816 -1.620868 1.325255
H -2.483786 -2.604846 -0.148455
H -1.604126 0.124846 -2.531030
H -1.706489 -1.638167 -2.268207
H -3.194635 -0.663519 -2.400217
H -4.889162 -2.468697 0.648229
H -4.702246 -1.788048 -0.979280
H -4.682259 1.836681 0.573908
H 5.677649 -2.467348 0.588485


