%chk=000094672.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094672

0 1
 O    1.078200      -1.327400      -1.183400    
 O   -1.282900       1.596100     -0.4768000    
 O    2.899100       2.408900      -1.136400    
 O    5.659100      -1.803000      0.9944000    
 O   -5.928700      0.9804000       1.566800    
 O    6.837800      0.2650000      0.6166000    
 O   -7.064800     -0.6690000      0.2261000    
 C   0.4682000      0.3058000      0.4567000    
 C  -0.6946000     -0.6184000      0.2154000    
 C    1.389800      7.1000000E-03 -0.7335000    
 C   -1.596100      0.2078000     -0.7117000    
 C  -4.8599999E-02  -1.816900     -0.4432000    
 C  -0.1713000       1.676100      0.4262000    
 C    2.854700      0.1254000     -0.3867000    
 C   -3.066600     -5.2700002E-02 -0.4875000    
 C    3.547000       1.332300     -0.6060000    
 C    3.519000     -0.9799000      0.1562000    
 C   -3.758200      0.6616000      0.4955000    
 C   -3.732000      -1.015500      -1.269300    
 C    4.857200     -0.8405000      0.4624000    
 C   -5.099800      0.3874000      0.6646000    
 C    4.902200       1.446900     -0.2871000    
 C   -5.091400      -1.273800      -1.077700    
 C    5.530300      0.3403000      0.2466000    
 C   -5.748500     -0.5544000     -0.1009000    
 C    6.912500      -1.095700       1.089200    
 C   -7.171800      0.3061000       1.283400    
 H   0.9676000      0.1101000       1.412400    
 H   -1.211900     -0.8918000       1.142100    
 H    1.165000      0.6550000      -1.589500    
 H   -1.361700      2.7400000E-02  -1.768600    
 H   0.3332000      -2.515900      0.3089000    
 H  -0.7190000      -2.362800      -1.112900    
 H  -0.5715000       1.938400       1.411800    
 H   0.5035000       2.474100      0.1078000    
 H    3.013400      -1.920200      0.3469000    
 H   -3.270200       1.402500       1.119300    
 H   -3.191200      -1.570600      -2.032000    
 H    5.448300       2.369700     -0.4506000    
 H   -5.606000      -2.015100      -1.678400    
 H    3.525600       3.148500      -1.215500    
 H    7.231400      -1.085900       2.137800    
 H    7.663600      -1.631900      0.4979000    
 H   -7.919300       1.054400      0.9962000    
 H   -7.512100     -0.1999000       2.194200    


%chk=000094672-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094672

0 1
O 1.079344 -0.788773 -1.712273
O -1.745012 1.924498 -0.976803
O 3.037358 2.652136 -0.094535
O 5.377405 -2.362915 0.750138
O -5.762822 0.493725 2.103351
O 6.509387 -0.457354 1.670072
O -6.822578 -1.356414 1.002363
C 0.470853 1.136258 -0.365119
C -0.583188 -0.009712 -0.174377
C 1.626891 0.489397 -1.199588
C -1.801782 0.446456 -1.041509
C 0.120019 -1.274278 -0.691854
C -0.312700 2.251775 -1.116171
C 2.921078 0.267592 -0.412469
C -3.154164 -0.035437 -0.563495
C 3.617016 1.380218 0.131490
C 3.473272 -1.034103 -0.265341
C -3.758239 0.580759 0.572636
C -3.790896 -1.118921 -1.215123
C 4.672481 -1.165051 0.434324
C -4.982096 0.067188 0.996102
C 4.839434 1.244691 0.846033
C -5.035087 -1.640886 -0.762659
C 5.339589 -0.051838 0.980757
C -5.607779 -1.021800 0.349043
C 6.664136 -1.900291 1.322763
C -7.030420 -0.275107 2.002869
H 0.850221 1.509477 0.596966
H -0.898822 -0.108122 0.877926
H 1.846954 1.095068 -2.098550
H -1.628164 0.118955 -2.091400
H 0.655352 -1.797287 0.126479
H -0.548448 -1.987055 -1.203653
H -0.170684 3.257584 -0.692562
H -0.038116 2.263582 -2.192487
H 2.965591 -1.886174 -0.722295
H -3.286239 1.438585 1.057440
H -3.322516 -1.562805 -2.101055
H 5.368636 2.106329 1.265767
H -5.525391 -2.478013 -1.265513
H 3.609265 3.369902 0.272872
H 6.874860 -2.466331 2.242406
H 7.460564 -1.996398 0.559722
H -7.833293 0.396816 1.644498
H -7.252768 -0.729926 2.980512


