File: CaC2.mop

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* 198.44 220
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 PM7
CaC2 (guess)
 H=200 HR=GUESS HWT=2
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0                        -0.1891
  C     1.21777098 +1    0.0000000 +0    0.0000000 +0     1     0     0      -0.1865
 Ca     2.62492702 +1   76.7874901 +1    0.0000000 +0     1     2     0       0.3756