%chk=000087441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087441

0 1
 O   -2.726000       1.718600      0.5409000    
 O    3.807000     -0.1055000      0.3671000    
 O   -3.805300     -0.5269000     -0.6907000    
 O    2.182700      0.3675000      -1.200400    
 C   0.1592000     -0.5262000      0.5419000    
 C    1.583500     -0.5300000      0.9836000    
 C  -0.6311000      0.6049000      0.7467000    
 C  -0.3829000      -1.653400     -7.5499997E-02
 C   -1.963500      0.6088000      0.3340000    
 C   -2.505700     -0.5185000     -0.2832000    
 C   -1.715400      -1.649500     -0.4880000    
 C    2.522600     -3.3599999E-02 -9.5600002E-02
 C    4.816900      0.3345000     -0.5466000    
 C    6.172800      0.1926000      0.1113000    
 C   -2.738100       2.698900     -0.4948000    
 C   -4.776500     -0.9823000      0.2494000    
 H    1.703800      0.1062000       1.868600    
 H    1.883300      -1.546400       1.266000    
 H  -0.2135000       1.486800       1.226600    
 H   0.2227000      -2.540200     -0.2428000    
 H   -2.130900      -2.530600     -0.9695000    
 H    4.779900     -0.2781000      -1.454400    
 H    4.640300       1.383800     -0.8082000    
 H    6.970200      0.5210000     -0.5612000    
 H    6.219000      0.7856000       1.030700    
 H    6.356200     -0.8489000      0.3953000    
 H   -3.127700       2.272600      -1.424700    
 H   -1.731800       3.097900     -0.6568000    
 H   -3.393200       3.517500     -0.1841000    
 H   -4.775400     -0.3491000       1.142200    
 H   -4.583000      -2.023500      0.5265000    
 H   -5.762100     -0.9227000     -0.2203000    


%chk=000087441-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087441

0 1
O -2.660213 1.658482 0.411937
O 3.590600 -0.202172 0.419826
O -3.350653 -0.765916 -1.075657
O 2.596343 1.779561 1.141983
C 0.324335 -0.487466 1.061078
C 1.645784 -0.402969 1.825313
C -0.576688 0.605496 1.066646
C -0.005251 -1.645553 0.314680
C -1.792057 0.541659 0.356182
C -2.140499 -0.646166 -0.352052
C -1.231739 -1.724546 -0.381297
C 2.631702 0.527647 1.123688
C 4.584507 0.600837 -0.362260
C 5.525230 -0.395294 -1.031507
C -2.885121 2.324298 -0.892950
C -4.576891 -0.689461 -0.246281
H 1.473703 0.008981 2.835586
H 2.099449 -1.401950 1.920589
H -0.336147 1.530387 1.601558
H 0.691977 -2.490426 0.285601
H -1.510791 -2.620481 -0.945061
H 4.029786 1.218765 -1.091279
H 5.107543 1.279056 0.335869
H 6.279146 0.146721 -1.631124
H 6.053444 -1.006385 -0.279729
H 4.969573 -1.072211 -1.702677
H -3.301672 1.616187 -1.632084
H -1.934702 2.746504 -1.270341
H -3.600216 3.135596 -0.688292
H -4.613176 0.257959 0.320780
H -4.614456 -1.546495 0.452735
H -5.414851 -0.748849 -0.957461


