%chk=000155102.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155102

0 1
 O   -1.933400       1.922000      4.8200000E-02
 O    2.533200      0.3619000      5.5199999E-02
 O   -4.951100      -1.135100     -0.6781000    
 O   -1.429600       4.106400     -0.4802000    
 O    3.580100      -1.152500      -1.326500    
 C   -1.813200     -0.4194000      0.8170000    
 C   -1.548100      -1.871100      0.3279000    
 C   -1.264900      0.6566000     -0.1414000    
 C   0.2040000      0.9903000      0.1269000    
 C   -2.792800      -2.176400     -0.5252000    
 C   -3.324200     -0.4056000      0.9656000    
 C    1.223600     -4.5299999E-02 -0.3583000    
 C   -3.955300      -1.556900      0.2370000    
 C  -0.2206000      -2.128300     -0.3612000    
 C   0.9936000      -1.449300      0.2164000    
 C   0.2371000       2.350100     -0.4979000    
 C   -1.109700       2.941200     -0.3348000    
 C   -4.000500      0.4458000       1.748700    
 C  -7.3200002E-02  -2.945700      -1.418600    
 C    1.201200       3.004500      -1.149200    
 C    3.552300     -0.4584000     -0.3201000    
 C    4.646100     -0.3886000      0.6886000    
 C    4.511900      0.4963000       1.889800    
 C    5.733600      -1.142600      0.4703000    
 H   -1.368600     -0.2851000       1.812600    
 H   -1.576200      -2.526700       1.212000    
 H   -1.436600      0.3640000      -1.187000    
 H   0.3608000       1.154700       1.203800    
 H   -2.709500      -1.748400      -1.533300    
 H   -2.949400      -3.254400     -0.6492000    
 H    1.207500     -7.7100001E-02  -1.456700    
 H   -4.386000      -2.275500      0.9426000    
 H   0.9049000      -1.392700       1.310300    
 H    1.850400      -2.116200      7.2300002E-02
 H   -5.077400      0.3728000       1.855500    
 H   -3.490200       1.227300       2.301200    
 H  -0.9048000      -3.480600      -1.861600    
 H   0.9006000      -3.105100      -1.871500    
 H   -4.581100     -0.4239000      -1.228800    
 H    2.183700       2.570800      -1.293100    
 H    1.037900       3.995100      -1.561200    
 H    4.391000       1.541400       1.586000    
 H    3.643800      0.2018000       2.488800    
 H    5.392800      0.4421000       2.538600    
 H    6.564700      -1.135600       1.168600    
 H    5.836000      -1.785400     -0.3977000    


%chk=000155102-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155102

0 1
O -1.835376 1.888051 -0.089677
O 2.545481 0.014589 0.468496
O -5.411520 -1.367972 -0.462358
O -1.093907 4.059859 -0.501198
O 3.645265 -1.205088 -1.192833
C -1.986702 -0.461795 0.797034
C -1.769972 -1.959782 0.313765
C -1.225747 0.517650 -0.127904
C 0.265770 0.767912 0.276854
C -3.040308 -2.278093 -0.510641
C -3.517193 -0.310533 0.818653
C 1.231424 -0.338317 -0.165064
C -4.171932 -1.592724 0.286964
C -0.440907 -2.249280 -0.377454
C 0.824011 -1.753525 0.320077
C 0.508910 2.172035 -0.257946
C -0.824491 2.861139 -0.316309
C -4.226394 0.764685 1.234573
C -0.346050 -2.925791 -1.553497
C 1.649863 2.803128 -0.626738
C 3.696896 -0.502892 -0.152276
C 4.934975 -0.091151 0.588103
C 4.796700 0.731661 1.852397
C 6.128513 -0.492438 0.068394
H -1.593332 -0.318562 1.822274
H -1.798039 -2.582650 1.234781
H -1.293050 0.181043 -1.181331
H 0.298979 0.814444 1.387168
H -2.973431 -1.818669 -1.517773
H -3.213106 -3.359167 -0.640204
H 1.372952 -0.351420 -1.261899
H -4.498384 -2.245047 1.119201
H 0.693104 -1.726846 1.419362
H 1.662931 -2.433213 0.094333
H -5.322772 0.737779 1.218445
H -3.744968 1.687967 1.566634
H -1.226267 -3.285538 -2.095438
H 0.630426 -3.146954 -2.000816
H -5.262257 -0.613010 -1.089045
H 2.627725 2.317912 -0.574386
H 1.599147 3.836785 -0.988854
H 4.266307 1.681084 1.657261
H 4.202730 0.193860 2.613030
H 5.787895 0.962457 2.277358
H 7.076553 -0.230856 0.550173
H 6.163950 -1.089526 -0.849392


