%chk=000157629.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157629

0 1
 O   -2.228800      -1.250700     -0.9408000    
 O   2.0000001E-03   1.812800     -0.8214000    
 O    2.110900      -2.744400       1.472500    
 O    2.415300       2.735300      -1.009700    
 O    4.469800      -1.670800       1.205300    
 O  -0.8831000     -0.4145000      -2.622000    
 C   -1.747000     -0.2404000     -4.6500001E-02
 C  -0.2547000     -0.3349000      0.1400000    
 C   -2.529400     -0.3784000       1.270400    
 C   0.5716000      0.7074000     -0.2592000    
 C    1.954300      0.5976000     -7.5900003E-02
 C    2.492300     -0.5544000      0.5042000    
 C   0.2691000      -1.483000      0.7174000    
 C    1.647400      -1.596600      0.9016000    
 C   -4.016600     -0.4480000       1.059400    
 C    2.835100       1.704000     -0.4993000    
 C    3.949500     -0.6827000      0.7020000    
 C   -4.911300      0.5563000       1.122600    
 C    4.288100       1.542400     -0.2869000    
 C    4.801500      0.4428000      0.2665000    
 C   -1.706800      -1.214400      -2.199100    
 C   -6.390600      0.4179000      0.9002000    
 C   -4.462700       1.955000       1.453300    
 C  -0.3779000       2.863900      6.2799998E-02
 C   -2.297800      -2.322200      -3.017400    
 H   -2.045400      0.7180000     -0.4867000    
 H   -2.244300      0.4115000       1.973500    
 H   -2.264500      -1.314600       1.778800    
 H  -0.3744000      -2.306500       1.015400    
 H   -4.396200      -1.439700      0.8154000    
 H    4.933300       2.356600     -0.5990000    
 H    5.871900      0.3462000      0.4128000    
 H   -6.669200     -0.6180000      0.6811000    
 H   -6.709700       1.036000      5.4900002E-02
 H   -6.942000      0.7313000       1.792400    
 H   -4.861100       2.656800      0.7118000    
 H   -3.381600       2.097400       1.459400    
 H   -4.845800       2.246900       2.436900    
 H    3.076000      -2.721000       1.555200    
 H   -1.146500       2.528200      0.7636000    
 H  -0.7871000       3.682400     -0.5356000    
 H   0.4816000       3.239700      0.6261000    
 H   -3.381500      -2.197100      -3.083200    
 H   -2.047600      -3.287300      -2.569700    
 H   -1.881300      -2.288300      -4.028100    


%chk=000157629-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157629

0 1
O -2.190908 -1.764082 -0.881725
O -0.396116 1.854821 -0.005961
O 2.426491 -2.903361 0.650539
O 2.313589 3.052723 -0.646841
O 4.587532 -1.678311 0.894331
O -1.772214 -0.914386 -3.019870
C -1.760489 -0.467365 -0.279320
C -0.253495 -0.489237 -0.055047
C -2.557067 -0.331982 1.046966
C 0.461392 0.765374 0.029917
C 1.881907 0.780246 0.156710
C 2.554379 -0.475068 0.405663
C 0.422734 -1.692625 0.136340
C 1.818594 -1.703017 0.411590
C -4.051960 -0.247802 0.822284
C 2.731882 1.978405 -0.086108
C 3.995736 -0.540729 0.641608
C -4.850959 0.850036 0.963263
C 4.174179 1.879692 0.254759
C 4.777688 0.697779 0.590275
C -2.146494 -1.853398 -2.287447
C -6.344915 0.760828 0.693947
C -4.367077 2.228029 1.380092
C -0.103897 3.123594 0.684136
C -2.599367 -3.225527 -2.734270
H -2.025199 0.349227 -0.971706
H -2.171902 0.558925 1.571481
H -2.314966 -1.212164 1.674504
H -0.114041 -2.643477 0.094657
H -4.520847 -1.187193 0.497165
H 4.739331 2.813480 0.160082
H 5.848942 0.617690 0.801438
H -6.647950 -0.256169 0.391079
H -6.645463 1.463401 -0.108743
H -6.928218 1.040623 1.593741
H -4.593504 2.970136 0.588830
H -3.283366 2.266501 1.576790
H -4.895419 2.567660 2.292797
H 3.445458 -2.696735 0.815228
H 0.402740 2.926992 1.647721
H -1.092358 3.579114 0.849279
H 0.539627 3.755038 0.051026
H -3.525431 -3.517925 -2.212436
H -1.826425 -3.973751 -2.481424
H -2.757354 -3.227512 -3.822342


