File: alter.mop

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mopac 22.0.6%2Bdfsg-1
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*  -297.694
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 PM7
Al-Te, complex
 <Al-Te> GR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Te     2.41022000 +1    0.0000000 +0    0.0000000 +0     1     0     0