File: allyl.mop

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mopac 22.0.6%2Bdfsg-1
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file content (16 lines) | stat: -rw-r--r-- 712 bytes parent folder | download | duplicates (2) 
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*
*    31.364
*
 PM7
Allyl
 H=40.0 HR=FPL1971
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38136378 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38176757 +1  122.7066528 +1    0.0000000 +0     2     1     0
 XX     5.00000000 +0  122.5325045 +1  180.0000000 +0     3     2     1
  H     1.07460047 +1  122.9122386 +1    0.0000000 +0     3     2     1
  H     1.07431382 +1    0.0155489 +1   82.7578651 +1     3     4     5
  H     1.09507243 +1  118.7220293 +1  180.0000000 +0     2     1     3
  H     1.07434069 +1  122.5353704 +1  180.0000000 +0     1     2     3
  H     1.07463061 +1  122.9179591 +1    0.0000000 +0     1     2     3