File: fluoroethane.mop

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mopac 22.0.6%2Bdfsg-1
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file content (15 lines) | stat: -rw-r--r-- 701 bytes parent folder | download | duplicates (3) 
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*
*   -59.260
*
 PM7
Fluoroethane
 I=12.43 IR=LLNBS82 D=1.96 H=-62.9 DR=MCC1963 HR=C&P1970 S=63.21 CP=14.00
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52547651 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.36146199 +1  108.9809259 +1    0.0000000 +0     2     1     0
  H     1.11531406 +1  111.5077787 +1  119.3891919 +1     2     1     3
  H     1.11531175 +1  111.4976322 +1 -119.3753537 +1     2     1     3
  H     1.09796644 +1  111.8559969 +1   60.0455567 +1     1     2     3
  H     1.09588618 +1  110.9960620 +1 -179.9365395 +1     1     2     3
  H     1.09798555 +1  111.8644578 +1  -59.9104066 +1     1     2     3