%chk=000051580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051580

0 1
 O   -1.007300      -2.918100       1.519700    
 O   -2.589100      -3.131000      -1.738400    
 C  -0.9938000      -1.001300      0.1100000    
 C   -1.201500      -2.514600      0.1641000    
 C   0.3181000     -0.4496000      5.4600000E-02
 C   -2.129000     -0.1533000      0.1651000    
 C   0.4798000      0.9576000     -1.4000000E-02
 C   -2.577200      -2.996600     -0.3190000    
 C   -1.980800       1.260000      8.2999997E-02
 C  -0.6754000       1.816900     -1.0200000E-02
 C   -3.460400     -0.7780000      0.3381000    
 C    1.484700      -1.261800      7.7100001E-02
 C   -3.674500      -2.073600      8.6700000E-02
 C    1.811700       1.456700     -8.2000002E-02
 C    2.788200     -0.7461000      1.2900000E-02
 C    2.955300      0.6395000     -7.1900003E-02
 C   -3.090400       2.150900      7.3600002E-02
 C  -0.5767000       3.234300     -9.1300003E-02
 C   -2.949200       3.533900     -8.2999999E-03
 C   -1.686400       4.078200     -8.8799998E-02
 C    3.921500      -1.579000      3.2699998E-02
 C    4.254900       1.174000     -0.1389000    
 C    5.205400      -1.038400     -3.4100000E-02
 C    5.372200      0.3393000     -0.1206000    
 H  -0.4529000      -3.021700     -0.4526000    
 H   -2.785300      -3.986100      0.1062000    
 H   -4.299900     -0.1790000      0.6673000    
 H    1.394500      -2.343800      0.1586000    
 H   -4.675800      -2.480900      0.1925000    
 H    1.991100       2.528300     -0.1415000    
 H   -4.112500       1.784100      0.1172000    
 H   0.3863000       3.732600     -0.1624000    
 H   -1.620600      -2.414100       2.081400    
 H   -3.826000       4.173800     -1.2500000E-02
 H   -1.554200       5.153800     -0.1542000    
 H    3.811300      -2.659400      9.9399999E-02
 H    4.406400       2.249400     -0.2050000    
 H   -1.918300      -3.793600      -1.976300    
 H    6.072100      -1.692400     -1.8800000E-02
 H    6.369800      0.7651000     -0.1726000    


%chk=000051580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051580

0 1
O -0.875793 -3.012190 1.499818
O -2.678694 -3.290295 -1.747472
C -1.028930 -0.989836 0.079013
C -1.208515 -2.498338 0.137279
C 0.319250 -0.438379 0.035328
C -2.151626 -0.157131 0.128373
C 0.505395 1.005822 -0.026226
C -2.599030 -3.038145 -0.284102
C -1.994943 1.302013 0.084099
C -0.678226 1.879495 -0.006685
C -3.494939 -0.763129 0.211723
C 1.458250 -1.277437 0.074143
C -3.724371 -2.094215 0.034138
C 1.819535 1.513870 -0.089790
C 2.778835 -0.762767 0.018821
C 2.965150 0.673835 -0.078089
C -3.124971 2.177400 0.104279
C -0.559101 3.299871 -0.069997
C -2.980064 3.569913 0.043912
C -1.682423 4.137561 -0.043584
C 3.937902 -1.614464 0.055093
C 4.301870 1.199874 -0.144439
C 5.220324 -1.073626 -0.010251
C 5.404342 0.347839 -0.112850
H -0.463762 -2.994705 -0.509200
H -2.726455 -3.994487 0.266582
H -4.351308 -0.113737 0.412488
H 1.331340 -2.358532 0.181512
H -4.739508 -2.502856 0.065093
H 1.990446 2.593470 -0.144448
H -4.135973 1.766415 0.155893
H 0.429568 3.760892 -0.142224
H -1.261433 -2.388118 2.167022
H -3.864976 4.215022 0.059880
H -1.557813 5.224556 -0.093610
H 3.795207 -2.698706 0.134110
H 4.441645 2.285027 -0.218919
H -2.147074 -4.103309 -1.952152
H 6.097598 -1.729146 0.016348
H 6.419373 0.756672 -0.164109


