%chk=000051017.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051017

0 1
 O   -3.639000      0.6816000       1.684600    
 O   -4.463500     -0.5546000      -1.595900    
 O   -1.747300       3.164000      -1.064600    
 C   -1.849300      0.2119000      0.1800000    
 C   -3.336400      0.4533000      0.3061000    
 C   -1.339100      -1.089100      0.1334000    
 C  -0.9596000       1.291000      0.1713000    
 C   0.9739000     -0.2135000      5.9300002E-02
 C   0.4302000       1.094800      0.1075000    
 C   4.9199998E-02  -1.288900      7.7699997E-02
 C   -4.200700     -0.7168000     -0.2028000    
 C    2.404000     -0.3776000     -2.4999999E-03
 C   -2.249100      -2.237700      0.1481000    
 C   -3.566000      -2.065400     -2.5200000E-02
 C   -1.521900       2.684400      0.2506000    
 C    1.279500       2.204300      9.6199997E-02
 C    3.233700      0.7741000     -1.3200000E-02
 C   0.4584000      -2.731700      2.0900000E-02
 C    2.660000       2.046700      3.6600001E-02
 C    3.060300      -1.633000     -5.5199999E-02
 C    4.632100      0.6487000     -7.3500000E-02
 C    4.452300      -1.743900     -0.1152000    
 C    5.238400     -0.6024000     -0.1241000    
 H   -3.634100       1.339900     -0.2651000    
 H   -5.169600     -0.7153000      0.3092000    
 H   -1.962600      -3.246900      0.3981000    
 H   -4.224600      -2.929200      5.9000002E-03
 H   -2.462400       2.734200      0.8057000    
 H  -0.8873000       3.385200      0.7995000    
 H   0.9335000       3.232100      9.8399997E-02
 H    1.036400      -2.891500     -0.8965000    
 H  -0.2872000      -3.504700     -0.1380000    
 H   0.9602000      -3.025300      0.9486000    
 H    3.284800       2.938000      2.2399999E-02
 H    2.627800      -2.609700      7.9999998E-04
 H   -4.577800      0.9284000       1.741700    
 H    5.267100       1.533000     -8.0799997E-02
 H   -3.611300     -0.4675000      -2.056900    
 H    4.920500      -2.724000     -0.1420000    
 H    6.320200     -0.6833000     -0.1674000    
 H   -2.114800       4.060600     -0.9840000    


%chk=000051017-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051017

0 1
O -3.533677 0.620127 1.903819
O -4.651547 -0.455054 -1.503300
O -1.627280 3.372516 -0.938327
C -1.864336 0.205055 0.231997
C -3.357025 0.423287 0.440086
C -1.351188 -1.127735 0.072248
C -0.991188 1.302608 0.178384
C 0.965520 -0.257348 -0.007767
C 0.419646 1.082869 -0.000445
C 0.044289 -1.363531 -0.086550
C -4.267494 -0.715949 -0.086859
C 2.433398 -0.398848 0.045792
C -2.305920 -2.250383 0.091445
C -3.660650 -2.085805 0.055545
C -1.503262 2.713487 0.388614
C 1.293416 2.213082 -0.232422
C 3.265490 0.757398 -0.203282
C 0.492240 -2.766812 -0.486263
C 2.653391 2.050247 -0.391156
C 3.107146 -1.604411 0.427159
C 4.689122 0.637778 -0.199445
C 4.507225 -1.695750 0.456994
C 5.312288 -0.576702 0.108376
H -3.686341 1.331737 -0.105275
H -5.239327 -0.654708 0.437720
H -1.904538 -3.266542 0.153945
H -4.335321 -2.948380 0.072268
H -2.475738 2.695313 0.911323
H -0.795021 3.280132 1.027456
H 0.842880 3.201218 -0.355671
H 1.442345 -2.739564 -1.040564
H -0.255487 -3.230193 -1.151467
H 0.625387 -3.447694 0.377793
H 3.296920 2.907780 -0.620007
H 2.531056 -2.467586 0.761873
H -4.496612 0.787112 2.082558
H 5.289620 1.529662 -0.415077
H -3.880658 -0.696819 -2.079679
H 4.980548 -2.634074 0.766705
H 6.404555 -0.657623 0.115458
H -1.994974 4.284304 -0.804303


