File: CaF2_wrong.mop

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 Calcium difluoride WRONG
 H=1000+"CaF2_ref" hr=guess noscale
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0                        -0.5348
 Ca     1.05595846 +0    0.0000000 +0    0.0000000 +0     1     0     0       1.0697
  F     1.05595347 +0  179.9942965 +0  180.0000000 +0     2     1     0      -0.5348