%chk=000005878.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005878

0 1
 O    5.035700      0.9647000      0.3928000    
 O   -4.097000       1.389100     -0.2984000    
 O   -5.983600      0.1686000     -0.3883000    
 C    1.870000     -0.7513000     -0.2511000    
 C    2.607300      0.5162000      0.2331000    
 C   0.4238000     -0.8385000      0.2556000    
 C  -0.3597000      0.4178000     -0.2392000    
 C   -1.864600      0.3770000      0.2045000    
 C    4.037100      0.2508000     -0.3324000    
 C    1.854300       1.738100     -0.3207000    
 C   0.3741000       1.740000      0.1044000    
 C    2.833100      -1.880300      0.1005000    
 C   -2.487500     -0.9436000     -0.3089000    
 C  -0.2581000      -2.130300     -0.2198000    
 C    4.233500      -1.271900     -9.8899998E-02
 C   -1.730700      -2.185200      0.1771000    
 C    2.679600      0.6350000       1.783900    
 C   -2.667500       1.494800     -0.4812000    
 C   -2.010100      0.5375000       1.737600    
 C   -3.969200      -1.034700      3.2200001E-02
 C    4.240200      0.5947000      -1.813200    
 C   -4.760500      0.2114000     -0.2695000    
 H    1.808800     -0.7286000      -1.349900    
 H   0.4299000     -0.8607000       1.350400    
 H  -0.3597000      0.3656000      -1.340100    
 H    1.881600       1.745100      -1.416800    
 H    2.334300       2.667200      8.8999998E-03
 H   0.3094000       1.952900       1.175100    
 H  -0.1169000       2.578100     -0.4031000    
 H    2.687300      -2.755900     -0.5407000    
 H    2.704900      -2.207600       1.138400    
 H   -2.417200     -0.9389000      -1.408000    
 H   0.2532000      -3.004000      0.2007000    
 H  -0.1780000      -2.213100      -1.311400    
 H    4.859100      -1.485800      0.7754000    
 H    4.728700      -1.746300     -0.9544000    
 H   -2.180900      -3.086800     -0.2562000    
 H   -1.815500      -2.289700       1.265100    
 H    3.176000       1.567600       2.076900    
 H    1.694600      0.6461000       2.257200    
 H    3.233800     -0.1895000       2.243700    
 H   -2.383300       2.476800     -8.8399999E-02
 H   -2.484500       1.517700      -1.562200    
 H   -1.622500       1.503700       2.075900    
 H   -3.055200      0.5049000       2.061200    
 H   -1.479200     -0.2412000       2.291300    
 H   -4.115800      -1.269000       1.092700    
 H   -4.412800      -1.853700     -0.5475000    
 H    4.154000       1.674400      -1.978200    
 H    5.254900      0.3260000      -2.131000    
 H    3.534900      8.0899999E-02  -2.471700    
 H    5.138200      0.5708000       1.274500    


%chk=000005878-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005878

0 1
O 5.118290 1.065702 0.308842
O -4.113861 1.462835 -0.347142
O -6.056370 0.278123 -0.319711
C 1.875719 -0.774308 -0.222494
C 2.617933 0.519469 0.230033
C 0.418349 -0.863556 0.275939
C -0.363842 0.397480 -0.225459
C -1.874935 0.363201 0.219593
C 4.070085 0.250223 -0.345918
C 1.853350 1.739537 -0.333671
C 0.367536 1.728007 0.121290
C 2.858609 -1.920355 0.131914
C -2.507524 -0.961269 -0.326282
C -0.264902 -2.164022 -0.215618
C 4.274227 -1.291489 -0.083471
C -1.760587 -2.221646 0.160124
C 2.721471 0.636194 1.777196
C -2.624731 1.515042 -0.486004
C -2.047129 0.507638 1.755603
C -4.014807 -1.032243 -0.009427
C 4.240567 0.609879 -1.831145
C -4.811345 0.248021 -0.257553
H 1.815162 -0.729147 -1.333702
H 0.418523 -0.874329 1.386140
H -0.368821 0.321421 -1.340154
H 1.882188 1.716213 -1.440771
H 2.335279 2.685690 -0.018424
H 0.314855 1.921364 1.209397
H -0.151068 2.575659 -0.367227
H 2.703822 -2.813610 -0.498035
H 2.719096 -2.238328 1.183315
H -2.393859 -0.920678 -1.433242
H 0.262218 -3.044443 0.198963
H -0.163577 -2.223751 -1.320722
H 4.921135 -1.440727 0.802008
H 4.802097 -1.755114 -0.935423
H -2.229971 -3.121732 -0.284566
H -1.871455 -2.323572 1.258791
H 3.212843 1.587885 2.050922
H 1.732027 0.631222 2.263746
H 3.298791 -0.194206 2.226535
H -2.372292 2.501644 -0.065628
H -2.405169 1.517695 -1.572250
H -1.529632 1.410430 2.124445
H -3.110862 0.614631 2.032581
H -1.641256 -0.358383 2.305673
H -4.170888 -1.292296 1.057018
H -4.506715 -1.835218 -0.587697
H 4.133101 1.697383 -1.980062
H 5.254439 0.322316 -2.158887
H 3.507095 0.086333 -2.468912
H 5.189089 0.790082 1.257429


