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
  0.4261506898084022  0.4560091943554028  0.4535747839805211
  0.4329529414881961  0.4721634797231431  0.5465358736252171
  0.5239844273827714  0.4629739176358783  0.5687348522022688
  0.4942380833800826  0.4069728992093573  0.5072359554755721
  0.5730418329407811  0.4464557610929702  0.4958610263608705
  0.5146413449946508  0.4420899184369702  0.4228570923919079
  0.5635175423230976  0.5197147085892553  0.4358038669778637
  0.4698379796911212  0.5229745032147690  0.4128224249005541
  0.5680024307885034  0.5362793410881892  0.5277798407204841
  0.4983090292522121  0.4950248564961157  0.4906536656339497
  0.5069868436692815  0.5827533134133844  0.4792475230885813
  0.4809720796414183  0.5462083158733435  0.5607120726432342
  0.4213117553887358  0.5391013615185969  0.4891118959844221
  0.3801446718404549  0.3081356469289318  0.4686731210966926
  0.4096860506534981  0.3525272612211623  0.4715625754752182
  0.4490239859123122  0.3504008684623940  0.4947002455648573
  0.3939748070500286  0.3900130759916394  0.4515967293394496
  0.3495222302030996  0.3131231742386618  0.4453357156542097
  0.3674038954687546  0.2989321936725275  0.5040180098997524
  0.4023072850544551  0.2785395802057593  0.4564705501430808
  0.5648008073538620  0.5975446817288912  0.5063216525255143
 
  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
