%chk=000085789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085789

0 1
 O    3.732700     -0.2781000      0.5295000    
 O    5.110000      -1.028400      -1.166600    
 C  -0.4534000       1.030900      0.1524000    
 C   -1.593200      5.6600001E-02 -0.1642000    
 C   0.9322000      0.4675000     -0.1720000    
 C   -2.999000      0.5293000      0.2193000    
 C    2.071900       1.447100      0.1375000    
 C   -4.101500     -0.4578000     -0.1699000    
 C   -5.487600      0.1035000      0.1549000    
 C    3.470200      0.9173000     -0.1996000    
 C   -6.592100     -0.8650000     -0.2672000    
 C    4.547700       1.940900      0.1352000    
 C   -7.969700     -0.3262000      8.4500000E-02
 C    4.574300      -1.168200     -7.5400002E-02
 C    4.757600      -2.369500      0.8017000    
 H  -0.6106000       1.959700     -0.4091000    
 H  -0.4937000       1.293300       1.216700    
 H   -1.574700     -0.1621000      -1.239500    
 H   -1.396600     -0.8942000      0.3474000    
 H   0.9714000      0.1980000      -1.234600    
 H    1.082700     -0.4587000      0.3957000    
 H   -3.035100      0.7086000       1.300800    
 H   -3.188800       1.494000     -0.2675000    
 H    1.897900       2.384200     -0.4058000    
 H    2.029500       1.683800       1.208700    
 H   -3.949300      -1.405700      0.3598000    
 H   -4.036400     -0.6725000      -1.243500    
 H   -5.627300       1.063000     -0.3580000    
 H   -5.559700      0.2993000       1.231700    
 H    3.489400      0.7206000      -1.279600    
 H   -6.539100      -1.042400      -1.347600    
 H   -6.448500      -1.832400      0.2281000    
 H    4.571600       2.144000       1.211500    
 H    5.540900       1.567900     -0.1359000    
 H    4.378300       2.883300     -0.3946000    
 H   -8.066300     -0.1702000       1.163700    
 H   -8.158200      0.6272000     -0.4192000    
 H   -8.744300      -1.034000     -0.2269000    
 H    5.205200      -2.069100       1.752300    
 H    5.428200      -3.079500      0.3092000    
 H    3.793900      -2.858000      0.9666000    


%chk=000085789-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085789

0 1
O 3.752064 -0.271629 0.553076
O 5.160411 -1.079241 -1.127479
C -0.438595 0.998867 0.182114
C -1.577772 0.042601 -0.236720
C 0.960713 0.496249 -0.237472
C -2.980398 0.540139 0.179188
C 2.094286 1.461330 0.171712
C -4.119469 -0.412543 -0.248752
C -5.522777 0.083694 0.166545
C 3.493600 0.985942 -0.243931
C -6.661740 -0.867405 -0.266986
C 4.613861 1.990053 0.057034
C -8.060697 -0.362229 0.147454
C 4.612110 -1.218397 -0.009462
C 4.766433 -2.404701 0.919790
H -0.620278 2.000415 -0.261857
H -0.463099 1.138189 1.283263
H -1.551288 -0.098133 -1.337688
H -1.397347 -0.958417 0.207985
H 0.981849 0.349105 -1.337740
H 1.149443 -0.495589 0.217772
H -3.009774 0.675114 1.280830
H -3.158324 1.543818 -0.260957
H 1.923728 2.454159 -0.292570
H 2.081456 1.615399 1.269110
H -3.941460 -1.416835 0.189922
H -4.090257 -0.546228 -1.350627
H -5.701104 1.088946 -0.269894
H -5.555368 0.214191 1.268690
H 3.516258 0.698615 -1.312829
H -6.625937 -0.999181 -1.367863
H -6.484390 -1.870866 0.171251
H 4.637019 2.237855 1.133179
H 5.595061 1.581282 -0.237717
H 4.447565 2.923757 -0.511006
H -8.132961 -0.252435 1.246133
H -8.273547 0.626251 -0.301956
H -8.856405 -1.058638 -0.175504
H 5.187063 -2.077033 1.886339
H 5.429451 -3.151799 0.460511
H 3.781115 -2.856670 1.127611


