File: ash2r.mop

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mopac 22.0.6%2Bdfsg-1
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*
*    11.944
*
 SYMMETRY PM7
Arsine radical
 GR=CHIK1986 <As-H> <H-As-H>
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 As     1.51800000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.51800000 +0   90.7000000 +1    0.0000000 +0     2     1     0
 
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