File: fef3.mop

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mopac 23.1.2-1
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file content (11 lines) | stat: -rw-r--r-- 361 bytes parent folder | download | duplicates (2) 
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*  -146.322
*
 QUARTET UHF PM7
FeF3
 HR=LBLHLM88 H=-188.0
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.69229138 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.62528685 +1  143.6008321 +1    0.0000000 +0     1     2     0
  F     1.69267097 +1   72.6857731 +1 -179.8281178 +1     1     2     3