File: krkr.mop

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mopac 23.1.2-1
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*
*   -51.223
*
 CHARGE=1 PM7
Krypton potassium cation
 <Kr-K> GR=HF631G
 Kr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  K     3.45000000 +1    0.0000000 +0    0.0000000 +0     1     0     0