%chk=000061412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061412

0 1
 O    4.719600     -0.3174000      0.2209000    
 O    3.652900       1.703000     -9.5600002E-02
 C   -1.435600      0.4377000     -1.8100001E-02
 C   -2.693100     -0.4306000      6.7199998E-02
 C  -0.1679000     -0.3982000      0.1706000    
 C   -3.957200      0.4031000     -0.1537000    
 C    1.090100      0.4678000      5.1700000E-02
 C   -5.246600     -0.4226000     -0.1096000    
 C    2.375500     -0.3457000      0.2028000    
 C   -6.508400      0.4085000     -0.3554000    
 C    3.628500      0.4952000      9.6699998E-02
 C   -7.738600     -0.4503000     -0.3139000    
 C   -8.763300     -0.2488000      0.5219000    
 C    5.989000      0.3343000      0.1113000    
 C    7.067300     -0.6859000      0.2685000    
 C    7.987700     -0.9501000     -0.6653000    
 H   -1.476800       1.222200      0.7472000    
 H   -1.401900      0.9385000     -0.9934000    
 H   -2.741100     -0.9177000       1.048500    
 H   -2.644000      -1.225200     -0.6871000    
 H  -0.1881000     -0.8843000       1.153300    
 H  -0.1359000      -1.193400     -0.5841000    
 H   -4.009500       1.190400      0.6084000    
 H   -3.891500      0.9077000      -1.125800    
 H    1.095600      0.9760000     -0.9209000    
 H    1.065100       1.256300      0.8145000    
 H   -5.319100     -0.9169000      0.8679000    
 H   -5.182800      -1.221000     -0.8604000    
 H    2.414800      -1.112100     -0.5797000    
 H    2.382000     -0.8389000       1.181500    
 H   -6.448800      0.8845000      -1.341400    
 H   -6.568300       1.214100      0.3863000    
 H   -7.798500      -1.273400      -1.021300    
 H   -9.629200     -0.9013000      0.4965000    
 H   -8.758000      0.5626000       1.241200    
 H    6.055500      0.8391000     -0.8597000    
 H    6.083700       1.080300      0.9086000    
 H    7.099800      -1.238700       1.203700    
 H    8.748000      -1.703300     -0.4893000    
 H    8.000700     -0.4258000      -1.614400    


%chk=000061412-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061412

0 1
O 4.795308 -0.375673 -0.097370
O 3.738095 1.700098 -0.268821
C -1.460790 0.439907 -0.145342
C -2.748213 -0.414210 -0.127843
C -0.165288 -0.401931 -0.134469
C -4.039484 0.434469 -0.119232
C 1.111605 0.466059 -0.158849
C -5.329603 -0.415525 -0.108206
C 2.396660 -0.383162 -0.138169
C -6.617995 0.450983 -0.083636
C 3.665196 0.453090 -0.177587
C -7.885239 -0.376276 -0.125569
C -8.870865 -0.354037 0.806892
C 6.128463 0.310397 -0.129398
C 7.108007 -0.563936 0.601279
C 8.287073 -0.978528 0.076056
H -1.461520 1.120891 0.731337
H -1.465636 1.092240 -1.043471
H -2.738477 -1.075644 0.763740
H -2.756246 -1.085667 -1.011981
H -0.158412 -1.049808 0.767374
H -0.166681 -1.086410 -1.008876
H -4.033156 1.101558 0.768007
H -4.046754 1.100656 -1.007499
H 1.112173 1.109647 -1.059231
H 1.113346 1.155394 0.707311
H -5.328154 -1.087343 0.773339
H -5.346624 -1.072559 -1.002503
H 2.423647 -1.081635 -0.997996
H 2.436751 -1.025424 0.763360
H -6.593393 1.133811 -0.960096
H -6.616887 1.092138 0.819647
H -7.986001 -1.050125 -0.992255
H -9.763492 -0.983877 0.719383
H -8.810667 0.299158 1.686771
H 6.414854 0.459790 -1.185967
H 6.008164 1.302880 0.345825
H 6.827942 -0.837113 1.627633
H 8.994334 -1.579928 0.656862
H 8.579559 -0.724653 -0.950350


