%chk=000093045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093045

0 1
 O   -4.480300     -0.5502000      0.8829000    
 O   -3.382200      -2.256400      -1.157300    
 O   0.2396000      -1.011300      0.2824000    
 O  -0.6662000      0.4590000       1.828500    
 O   -4.776400       1.646900     -0.7276000    
 O    1.732900      0.6611000     -0.3635000    
 O    2.411100      -2.545300       1.251700    
 O    4.916200      -1.926600     -0.1701000    
 O    5.382300      0.9261000     -0.2049000    
 O    1.970700       3.376700     -0.7160000    
 C   -2.157000     -0.7351000      0.2493000    
 C   -3.311900      0.2249000      0.6143000    
 C   -2.491300      -1.129900      -1.219300    
 C   -3.493500       1.047500     -0.6650000    
 C   -3.281900      5.6699999E-02  -1.812500    
 C  -0.7956000     -5.1899999E-02  0.4920000    
 C   -1.321800      -1.540800      -2.106300    
 C   -2.997200       1.061600       1.810900    
 C    1.528200     -0.4434000      0.5146000    
 C   -1.765100       1.099100       2.326700    
 C    2.573800      -1.529600      0.2622000    
 C    3.992400     -0.9654000      0.3427000    
 C    4.128200      0.3109000     -0.4878000    
 C    2.999100       1.292100     -0.1642000    
 C    3.045900       2.523300      -1.063600    
 H   -2.212100      -1.633400      0.8819000    
 H   -2.744800       1.847000     -0.7305000    
 H   -4.238700     -0.2608000      -2.243700    
 H   -2.721700      0.5596000      -2.609700    
 H  -0.6691000      0.7820000     -0.2103000    
 H  -0.6005000     -0.7295000      -2.242800    
 H  -0.8053000      -2.413700      -1.692300    
 H   -1.676800      -1.840500      -3.099500    
 H   -3.794200       1.626500       2.284800    
 H   -5.237000      5.9300002E-02  0.9302000    
 H   -3.651800      -2.477300      -2.065300    
 H    1.597300     -0.1144000       1.559800    
 H   -1.517500       1.643500       3.227000    
 H   -4.848600       2.091900      -1.589200    
 H    2.414000      -2.003600     -0.7143000    
 H    4.282900     -0.7799000       1.384100    
 H    4.118900      4.3699998E-02  -1.552500    
 H    3.060900       1.631400      0.8788000    
 H    2.931400       2.254100      -2.118800    
 H    3.974900       3.086200     -0.9411000    
 H    1.498200      -2.873800       1.184000    
 H    4.801900      -2.742800      0.3462000    
 H    5.556400       1.581100     -0.9013000    
 H    1.146900       2.870800     -0.8228000    


%chk=000093045-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093045

0 1
O -4.316521 -1.001071 1.107962
O -2.129837 -2.066213 -1.830475
O 0.247477 -0.872207 0.323767
O -0.825340 0.254949 2.078850
O -5.478087 1.016057 -0.187927
O 1.871966 0.534863 -0.646975
O 2.352238 -2.347572 1.730514
O 4.957186 -2.077898 0.501816
O 5.594755 0.583433 -0.384346
O 2.343195 3.083587 -1.748787
C -2.141530 -0.607562 0.113144
C -3.405390 0.097527 0.694929
C -2.321273 -0.651645 -1.454390
C -4.063177 0.798728 -0.528810
C -3.798719 -0.192323 -1.677591
C -0.840991 0.032542 0.602438
C -1.342813 0.232978 -2.258015
C -3.134938 0.989422 1.881577
C 1.567622 -0.322660 0.515410
C -1.949799 0.964109 2.541140
C 2.537216 -1.515032 0.541185
C 3.977613 -0.993923 0.611942
C 4.274445 -0.025372 -0.542981
C 3.242759 1.118872 -0.555451
C 3.371347 2.041147 -1.769398
H -2.158076 -1.652251 0.470457
H -3.573338 1.775908 -0.718119
H -4.457991 -1.069934 -1.549573
H -3.953197 0.248989 -2.679909
H -0.649046 1.028094 0.151496
H -1.489040 1.308096 -2.039272
H -0.294068 -0.032222 -2.045995
H -1.525311 0.099218 -3.342350
H -3.969658 1.570207 2.286426
H -5.233800 -0.610431 1.094709
H -2.054290 -2.128244 -2.816920
H 1.618980 0.275172 1.450793
H -1.743645 1.471187 3.487713
H -5.990089 1.256111 -0.997834
H 2.379096 -2.100760 -0.388296
H 4.108228 -0.460896 1.579890
H 4.216379 -0.594995 -1.496255
H 3.327526 1.710752 0.380551
H 3.309179 1.434922 -2.698463
H 4.342052 2.557935 -1.738556
H 1.415381 -2.671151 1.744984
H 4.742956 -2.753053 1.195523
H 6.236985 -0.153596 -0.212331
H 1.470984 2.623608 -1.635399


