File: caor.mop

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*   -47.268
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 OPEN(2,2) TRIPLET GEO-OK PM7
Calcium oxide
 <Ca-O> GR=JANAF86 GWT=0.5
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.82200000 +1    0.0000000 +0    0.0000000 +0     1     0     0