%chk=000050137.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050137

0 1
 O   0.4181000      -2.617800     -0.1229000    
 O    1.042600       2.195900     -0.4501000    
 O    1.148300       2.238600       1.888100    
 C   -1.598400      -1.153000      6.1500002E-02
 C   -3.011300       1.197600     -0.8659000    
 C  -0.9321000      -2.492600      0.3771000    
 C  -0.8724000     -6.9899999E-02 -0.2821000    
 C   -1.496000       1.264400     -0.6192000    
 C   -3.108300      -1.081000      0.1832000    
 C   -3.671600      0.3400000      0.2113000    
 C   0.5950000     -0.2042000     -0.3033000    
 C   -3.618000       2.598400     -0.9056000    
 C    1.162800      -1.478600     -0.2248000    
 C  -0.8697000      -2.722300       1.896200    
 C   -1.678300      -3.665500     -0.2812000    
 C    1.459400      0.8965000     -0.4193000    
 C    2.548500      -1.658000     -0.2913000    
 C    3.390000     -0.5563000     -0.4089000    
 C    2.845400      0.7218000     -0.4687000    
 C    4.867300     -0.7453000     -0.4679000    
 C   0.9200000       2.785400      0.8172000    
 C   0.4588000       4.205700      0.6767000    
 H   -3.187200      0.7276000      -1.843400    
 H   -1.345200       1.941700      0.2250000    
 H   -1.044300       1.691600      -1.521800    
 H   -3.550800      -1.615900     -0.6664000    
 H   -3.441000      -1.591200       1.093900    
 H   -4.757400      0.3022000      6.3000001E-02
 H   -3.501900      0.7832000       1.201500    
 H   -3.490800       3.116700      5.0999999E-02
 H   -3.144000       3.204400      -1.684900    
 H   -4.690100       2.550100      -1.123400    
 H  -0.3347000      -3.651100       2.126900    
 H  -0.3166000      -1.917500       2.394900    
 H   -1.865000      -2.781100       2.348300    
 H   -1.746800      -3.523100      -1.366400    
 H   -1.136100      -4.606700     -0.1285000    
 H   -2.690300      -3.795500      0.1160000    
 H    2.964700      -2.661600     -0.2419000    
 H    3.497900       1.588300     -0.5515000    
 H    5.290000     -0.7206000      0.5414000    
 H    5.125300      -1.702900     -0.9329000    
 H    5.342600      3.9099999E-02  -1.066800    
 H  -0.4621000       4.246100      9.0000004E-02
 H   0.2533000       4.619300       1.668100    
 H    1.242300       4.799900      0.2005000    


%chk=000050137-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050137

0 1
O 0.323655 -2.593445 -0.292216
O 1.141265 2.279296 -0.086344
O 0.773188 2.045950 2.221574
C -1.651740 -1.130456 0.087103
C -3.014013 1.141921 -1.051757
C -0.970989 -2.448739 0.473953
C -0.888683 -0.023599 -0.200318
C -1.542746 1.297772 -0.603898
C -3.171665 -1.111432 0.106455
C -3.767540 0.308292 0.007121
C 0.588169 -0.153691 -0.212294
C -3.672365 2.517299 -1.282817
C 1.149066 -1.465932 -0.326003
C -0.641785 -2.471610 1.986777
C -1.746730 -3.706354 0.046442
C 1.540289 0.900481 -0.226936
C 2.521012 -1.695167 -0.545923
C 3.427902 -0.612392 -0.606913
C 2.916774 0.696039 -0.426601
C 4.914568 -0.848428 -0.803155
C 0.797096 2.759723 1.201851
C 0.490549 4.238703 1.115619
H -3.028974 0.576656 -2.008228
H -1.521742 2.002884 0.253797
H -0.950044 1.775621 -1.405656
H -3.554535 -1.734464 -0.729531
H -3.536033 -1.605382 1.031287
H -4.845835 0.247229 -0.236903
H -3.685028 0.821017 0.987308
H -3.714769 3.096554 -0.339544
H -3.107664 3.116216 -2.022091
H -4.707665 2.407655 -1.656169
H -0.135682 -3.416165 2.255160
H 0.010049 -1.623661 2.259072
H -1.571409 -2.389611 2.579254
H -1.952962 -3.689817 -1.037254
H -1.136037 -4.597906 0.268541
H -2.700524 -3.792871 0.593500
H 2.864291 -2.728895 -0.655260
H 3.581380 1.565815 -0.432015
H 5.424961 -0.998072 0.168218
H 5.102307 -1.748197 -1.414846
H 5.397905 0.011436 -1.299113
H -0.275022 4.426249 0.343259
H 0.141472 4.604466 2.091817
H 1.398185 4.791808 0.816380


