File: cf3ch2..mop

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mopac 23.1.2-1
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file content (14 lines) | stat: -rw-r--r-- 569 bytes parent folder | download | duplicates (3)
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*
*  -133.595
*
 PM7
CF3CH2.
 H=-123.6 HR=WR1974
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47785577 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.33486255 +1  114.7181677 +1    0.0000000 +0     2     1     0
  F     1.33476932 +1  114.7666633 +1  120.5785573 +1     2     1     3
  F     1.33647433 +1  113.4293621 +1 -119.7287687 +1     2     1     3
  H     1.07075965 +1  120.8270603 +1   31.3241088 +1     1     2     3
  H     1.07072086 +1  120.8725252 +1 -149.5152318 +1     1     2     3