%chk=000017721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017721

0 1
 O   -3.558300      0.4445000     -0.1969000    
 O    3.553900      0.4369000      0.2032000    
 O   -3.013300     -0.8983000     -0.1174000    
 O    2.999400     -0.9080000      0.1434000    
 C   -2.655900       1.145900      -1.083200    
 C    2.696600       1.155000       1.078600    
 C   -1.273100       1.148500     -0.5244000    
 C    1.281300       1.153300      0.5071000    
 C  -0.1741000       1.136200      -1.383400    
 C    1.119300       1.138600     -0.8611000    
 C   -1.078500       1.163100      0.8569000    
 C   0.2149000       1.165600       1.379000    
 C   -3.196000       2.587700      -1.216400    
 C   -2.806500      0.4282000      -2.449000    
 C    3.212300       2.596200       1.167800    
 C    2.811200      0.4659000       2.446400    
 C   -3.892200      -1.597900      0.7515000    
 C    3.863800      -1.626400     -0.7375000    
 C   -3.882000     -0.9061000       2.113900    
 C   -5.293500      -1.581000      0.1424000    
 C   -3.376000      -3.030100      0.8726000    
 C    5.274900      -1.613700     -0.1513000    
 C    3.335600      -3.056000     -0.8357000    
 C    3.836300     -0.9482000      -2.106400    
 H  -0.2857000       1.148600      -2.462900    
 H    1.956700       1.172000      -1.548800    
 H   -1.914800       1.209400       1.547600    
 H   0.3288000       1.201900       2.456300    
 H   -3.215500       3.090000     -0.2420000    
 H   -2.584100       3.187600      -1.898600    
 H   -4.228800       2.583500      -1.583400    
 H   -2.334900     -0.5615000      -2.453700    
 H   -2.365100       1.010000      -3.265600    
 H   -3.865600      0.2741000      -2.689100    
 H    3.229800       3.073200      0.1805000    
 H    2.595200       3.210600       1.832400    
 H    4.244500       2.616000       1.536500    
 H    2.321200     -0.5148000       2.468900    
 H    2.379700       1.071400       3.251100    
 H    3.864100      0.2928000       2.701600    
 H   -2.862800     -0.8397000       2.510400    
 H   -4.489700      -1.460000       2.838200    
 H   -4.275600      0.1153000       2.074100    
 H   -5.726700     -0.5751000      0.1130000    
 H   -5.980300      -2.213800      0.7152000    
 H   -5.272600      -1.944000     -0.8917000    
 H   -3.339400      -3.514900     -0.1097000    
 H   -2.351400      -3.043000       1.261800    
 H   -4.005900      -3.633700       1.533900    
 H    5.948700      -2.254800     -0.7301000    
 H    5.713200     -0.6097000     -0.1367000    
 H    5.268300      -1.968200      0.8858000    
 H    2.304600      -3.065300      -1.207700    
 H    3.311800      -3.530700      0.1520000    
 H    3.950200      -3.670700      -1.501300    
 H    4.230500      7.3299997E-02  -2.081200    
 H    4.435200      -1.509500      -2.832300    
 H    2.812600     -0.8872000      -2.491700    


%chk=000017721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017721

0 1
O -3.771759 0.650814 0.197310
O 3.769262 0.625398 -0.211667
O -3.574649 -0.835182 0.605102
O 3.563223 -0.863830 -0.601249
C -2.830213 0.939127 -0.922152
C 2.829117 0.933528 0.904140
C -1.366571 0.862259 -0.448750
C 1.365139 0.859618 0.431362
C -0.296901 0.853016 -1.378930
C 1.046517 0.852718 -0.947972
C -1.047972 0.872742 0.930569
C 0.295409 0.870514 1.361547
C -3.209326 2.413350 -1.228395
C -3.137483 0.018079 -2.121308
C 3.217486 2.408985 1.191865
C 3.130453 0.025239 2.114431
C -4.893068 -1.329652 1.115817
C 4.879819 -1.374030 -1.102155
C -5.328391 -0.495900 2.338630
C -5.951212 -1.307537 -0.005659
C -4.514457 -2.773417 1.515903
C 5.935111 -1.344815 0.021772
C 4.492128 -2.819915 -1.485037
C 5.323835 -0.558433 -2.333990
H -0.502899 0.841932 -2.455680
H 1.861321 0.831544 -1.676858
H -1.862972 0.866843 1.659563
H 0.501263 0.873455 2.438385
H -3.065860 3.042562 -0.333701
H -2.556893 2.798535 -2.031244
H -4.261466 2.484222 -1.555788
H -2.921779 -1.030728 -1.862454
H -2.534391 0.297749 -3.002382
H -4.204208 0.107776 -2.391999
H 3.078195 3.027645 0.289179
H 2.567348 2.808555 1.989506
H 4.269973 2.477406 1.518627
H 2.908944 -1.025280 1.867690
H 2.528206 0.318555 2.991614
H 4.197433 0.112180 2.385016
H -4.546199 -0.521240 3.117604
H -6.265156 -0.898480 2.765952
H -5.496637 0.554635 2.048551
H -6.121820 -0.273218 -0.348571
H -6.909255 -1.719798 0.360529
H -5.614761 -1.912319 -0.866300
H -4.160441 -3.343285 0.639352
H -3.716692 -2.769590 2.278408
H -5.400910 -3.283667 1.933558
H 6.890988 -1.768918 -0.336493
H 6.112407 -0.307234 0.351216
H 5.592161 -1.935606 0.889537
H 3.694994 -2.820016 -2.248224
H 4.133708 -3.377002 -0.602074
H 5.375486 -3.340975 -1.895894
H 5.496226 0.494898 -2.056741
H 6.260151 -0.970967 -2.752719
H 4.544337 -0.589845 -3.115448


