%chk=000022965.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022965

0 1
 O   -1.221500      -2.116100     -0.1623000    
 O    4.150200       1.118700     -0.2621000    
 O   -4.243600      0.6842000     -0.2539000    
 O   -3.475300      -1.752800     -6.6500001E-02
 O    5.023300     -0.8606000      0.5246000    
 O   -3.074900       2.087200       1.169100    
 C   0.3092000     -0.2567000      0.1702000    
 C   8.9400001E-02  -1.607200     -8.1600003E-02
 C    1.623900      0.2103000      0.2430000    
 C    2.691300     -0.6744000      6.4000003E-02
 C  -0.8367000      0.6214000      0.3489000    
 C   -2.080000      0.1323000      0.2712000    
 C    1.143200      -2.500900     -0.2623000    
 C    2.451000      -2.027100     -0.1881000    
 C   -2.337500      -1.300700      4.3000001E-03
 C    4.058700     -0.1852000      0.1420000    
 C   -3.170200       1.095600      0.4657000    
 C    5.451100       1.715700     -0.2316000    
 C   -5.396800       1.527600     -0.1667000    
 C    5.347800       3.148100     -0.7104000    
 C   -6.502700      0.9403000      -1.017700    
 H    1.802200       1.262800      0.4525000    
 H  -0.6357000       1.671400      0.5383000    
 H   0.9545000      -3.551800     -0.4588000    
 H    3.273700      -2.722800     -0.3314000    
 H    5.837200       1.693400      0.7934000    
 H    6.125000       1.152500     -0.8865000    
 H   -5.725700       1.589500      0.8767000    
 H   -5.144000       2.530600     -0.5283000    
 H    6.326500       3.635800     -0.6994000    
 H    4.944900       3.186000      -1.727800    
 H    4.661300       3.717900     -7.5400002E-02
 H   -7.401900       1.561000     -0.9734000    
 H   -6.182000      0.8557000      -2.061200    
 H   -6.753300     -7.0600003E-02 -0.6795000    


%chk=000022965-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022965

0 1
O -1.177852 -2.167982 -0.133004
O 4.278212 1.175050 -0.101553
O -4.476141 0.639126 -0.250135
O -3.464838 -1.936553 -0.167626
O 5.165964 -0.981861 -0.052467
O -2.964645 2.407948 -0.236627
C 0.334121 -0.244213 -0.140299
C 0.107977 -1.656052 -0.121287
C 1.671549 0.237190 -0.126769
C 2.748962 -0.667818 -0.095622
C -0.817352 0.615256 -0.173809
C -2.119058 0.134107 -0.187687
C 1.184709 -2.571981 -0.090106
C 2.495281 -2.073710 -0.077541
C -2.398358 -1.314020 -0.165135
C 4.170482 -0.215468 -0.080573
C -3.203964 1.170377 -0.225963
C 5.671169 1.722318 -0.088135
C -5.601705 1.629246 -0.291248
C 5.548425 3.241688 -0.112113
C -6.889414 0.814456 -0.317058
H 1.867817 1.313462 -0.140686
H -0.688205 1.704332 -0.190299
H 0.973363 -3.644351 -0.076503
H 3.354292 -2.752083 -0.053513
H 6.178431 1.349765 0.819951
H 6.205749 1.323855 -0.969169
H -5.520777 2.277871 0.599738
H -5.472565 2.258666 -1.190293
H 6.555818 3.696112 -0.103010
H 5.023725 3.582367 -1.020990
H 4.995799 3.608303 0.769714
H -7.760029 1.494736 -0.348313
H -6.922920 0.160498 -1.204470
H -6.971421 0.180462 0.581598


