%chk=000017387.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017387

0 1
 O   -1.704000      -1.233900     -0.1005000    
 O    2.886200      0.1584000      -1.000300    
 O   0.6342000      -3.107300     -9.6900001E-02
 O   -3.990200      -1.155500     -0.2928000    
 C   0.6641000     -0.6710000     -0.3643000    
 C    1.876700      0.2476000      1.8100001E-02
 C  -0.6483000     -0.3843000      0.4185000    
 C    1.582200       1.745000      0.3118000    
 C    2.471100     -0.4301000       1.270500    
 C   -1.226700       1.033700      0.4373000    
 C    1.170000      -2.031700      0.1503000    
 C   0.6435000       2.413700     -0.7092000    
 C    2.413500      -1.921000      0.9848000    
 C  -0.8188000       1.945700     -0.7182000    
 C   0.4787000     -0.8433000      -1.886900    
 C    2.875100       2.579600      0.4014000    
 C   -2.690600      0.7440000      0.4208000    
 C   -2.921900     -0.6369000     -2.5000000E-02
 C   -3.695100       1.547300      0.7806000    
 H  -0.5132000     -0.7059000       1.461900    
 H    1.118900       1.825400       1.302100    
 H    1.872400     -0.2036000       2.161300    
 H    3.505900     -0.1315000       1.467700    
 H  -0.9777000       1.521700       1.387400    
 H    1.059700       2.318900      -1.720100    
 H   0.6293000       3.493800     -0.5073000    
 H    2.319900      -2.501600       1.905500    
 H    3.274300      -2.265400      0.4054000    
 H   -1.446400       2.848000     -0.7015000    
 H   -1.055000       1.476500      -1.680100    
 H    1.307400      -1.406900      -2.333100    
 H  -0.4270000      -1.406100      -2.134700    
 H   0.4311000      0.1123000      -2.411500    
 H    3.569900       2.165100       1.137800    
 H    3.389000       2.634900     -0.5641000    
 H    2.648600       3.605200      0.7141000    
 H    3.112400     -0.7721000      -1.157900    
 H   -3.498800       2.557500       1.124300    
 H   -4.729700       1.223600      0.7441000    


%chk=000017387-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017387

0 1
O -1.484679 -1.395782 0.562169
O 2.800160 0.352412 -1.243831
O 0.961010 -3.117235 -0.661091
O -3.790447 -1.601820 0.321268
C 0.670272 -0.646741 -0.389726
C 1.931772 0.256039 -0.050288
C -0.460334 -0.306137 0.631463
C 1.634860 1.729564 0.361019
C 2.685347 -0.499806 1.115008
C -1.239228 1.061214 0.478709
C 1.204911 -2.073084 -0.020085
C 0.692801 2.496553 -0.601490
C 2.180919 -1.964353 1.150832
C -0.792693 2.021542 -0.658642
C 0.199284 -0.641882 -1.864203
C 2.954736 2.520416 0.541797
C -2.691117 0.623744 0.330465
C -2.787676 -0.870764 0.393235
C -3.799007 1.388491 0.166985
H -0.046129 -0.372954 1.654899
H 1.143346 1.680583 1.355451
H 2.506742 0.010178 2.077959
H 3.768925 -0.443945 0.917494
H -1.128248 1.604907 1.437749
H 1.135613 2.465100 -1.614949
H 0.716038 3.558475 -0.288595
H 1.640978 -2.202654 2.087728
H 2.973714 -2.723198 1.042636
H -1.453374 2.908274 -0.600530
H -1.015264 1.549339 -1.627719
H 0.608755 -1.521443 -2.390553
H -0.897023 -0.740381 -1.929937
H 0.523099 0.265062 -2.396106
H 3.641441 2.026267 1.251535
H 3.480819 2.617181 -0.422374
H 2.741132 3.533198 0.930396
H 2.917316 -0.546204 -1.645112
H -3.758192 2.482056 0.120476
H -4.779882 0.907585 0.077260


