%chk=000051864.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051864

0 1
 O   -2.332100      0.2021000      0.9225000    
 O    5.282900       1.156100     -0.7173000    
 O    3.986700      0.2575000       1.427000    
 O   -4.811900     -0.5136000      0.1834000    
 C    1.148300     -0.8140000      0.2160000    
 C  -0.2598000     -0.8909000      0.3349000    
 C    1.801900      0.3812000      0.5579000    
 C  -0.9729000      0.2294000      0.7917000    
 C    1.077400       1.484400       1.010400    
 C  -0.3073000       1.408800       1.127100    
 C    1.861300      -1.934400     -0.2408000    
 C  -0.9136000      -2.085900     -7.1999999E-03
 C    3.250600      0.5363000      0.4629000    
 C    1.195300      -3.113700     -0.5757000    
 C  -0.1893000      -3.189300     -0.4593000    
 C   -3.072800       1.145200      0.1533000    
 C    3.876800       1.046400     -0.8382000    
 C   -4.449100      0.6040000     -0.1804000    
 C   -5.341800       1.528700     -0.9893000    
 C   -6.711200      0.9323000      -1.259600    
 C    5.880400       1.629400      -1.919300    
 H    1.582600       2.409400       1.277700    
 H  -0.8538000       2.274700       1.490900    
 H    2.943500      -1.918800     -0.3448000    
 H   -1.994500      -2.178500      7.2099999E-02
 H    1.758300      -3.973500     -0.9273000    
 H  -0.7070000      -4.107800     -0.7204000    
 H   -2.563700       1.365800     -0.7927000    
 H   -3.197300       2.062400      0.7381000    
 H    3.449200       2.030600      -1.059300    
 H    3.629400      0.3409000      -1.638700    
 H   -4.840700       1.742000      -1.939400    
 H   -5.455100       2.465800     -0.4343000    
 H   -6.628500     -2.7000001E-03  -1.823500    
 H   -7.236700      0.7142000     -0.3241000    
 H   -7.322500       1.629200      -1.841100    
 H    5.502900       2.626000      -2.167500    
 H    5.684700      0.9355000      -2.742600    
 H    6.960700       1.692800      -1.764400    


%chk=000051864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051864

0 1
O -2.327597 -0.182985 -0.199588
O 5.483810 1.284687 -0.767226
O 4.204536 -0.966951 -0.226709
O -5.020910 -0.540794 -0.350951
C 1.222522 -1.324214 -0.067524
C -0.228061 -1.314361 -0.026287
C 1.934210 -0.082504 -0.362875
C -0.936414 -0.082254 -0.272948
C 1.173551 1.080106 -0.598851
C -0.243855 1.100996 -0.558533
C 1.879076 -2.576070 0.186972
C -0.957916 -2.513438 0.254237
C 3.430474 0.010656 -0.425542
C 1.144200 -3.734852 0.461004
C -0.281274 -3.710484 0.495298
C -3.121991 1.005897 -0.455278
C 4.039748 1.397082 -0.754688
C -4.614482 0.642464 -0.372457
C -5.549576 1.853745 -0.314818
C -7.000589 1.525672 -0.712172
C 6.118572 2.565648 -1.070905
H 1.675026 2.025828 -0.824074
H -0.768214 2.041486 -0.747659
H 2.969155 -2.600626 0.160866
H -2.050134 -2.466068 0.270723
H 1.675140 -4.674568 0.650412
H -0.841968 -4.626930 0.708478
H -2.916087 1.409136 -1.471515
H -2.893881 1.806512 0.280601
H 3.707917 2.138021 0.010015
H 3.661839 1.740853 -1.746161
H -5.133282 2.670846 -0.938770
H -5.517293 2.232708 0.729740
H -7.061495 1.215023 -1.769800
H -7.389177 0.693443 -0.102136
H -7.652722 2.404814 -0.569633
H 5.871195 3.339005 -0.311174
H 5.824411 2.944483 -2.074091
H 7.202838 2.375988 -1.057284


