PMe3                                    
   1.00000000000000     
    28.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   28.2500000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   28.5000000000000000
   Ru   C    O    H 
    13     2     2     4
Direct
  0.4261506898084051  0.4560091943554038  0.4535747839805226
  0.4329529414881992  0.4721634797231399  0.5465358736252154
  0.5239844273827684  0.4629739176358759  0.5687348522022657
  0.4942380833800827  0.4069728992093591  0.5072359554755708
  0.5730418329407821  0.4464557610929722  0.4958610263608706
  0.5146413449946476  0.4420899184369705  0.4228570923919063
  0.5635175423230985  0.5197147085892561  0.4358038669778635
  0.4698379796911197  0.5229745032147703  0.4128224249005525
  0.5680024307885062  0.5362793410881914  0.5277798407204808
  0.4983090292522155  0.4950248564961148  0.4906536656339505
  0.5069868436692843  0.5827533134133853  0.4792475230885799
  0.4809720796414181  0.5462083158733421  0.5607120726432318
  0.4213117553887333  0.5391013615185959  0.4891118959844189
  0.3801446718404580  0.3081356469289349  0.4686731210966958
  0.4096860506534972  0.3525272612211628  0.4715625754752154
  0.4490239859123099  0.3504008684623919  0.4947002455648574
  0.3939748070500274  0.3900130759916372  0.4515967293394518
  0.3495222302030981  0.3131231742386588  0.4453357156542122
  0.3674038954687533  0.2989321936725303  0.5040180098997512
  0.4023072850544578  0.2785395802057627  0.4564705501430781
  0.5648008073538636  0.5975446817288881  0.5063216525255160
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
