File: hekr.mop

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mopac 22.0.6%2Bdfsg-1
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*
*   -83.512
*
 CHARGE=1 PM7
Helium potassium cation
 <He-K> GR=HF631G GWT=10
 He     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  K     3.15500000 +1    0.0000000 +0    0.0000000 +0     1     0     0