File: Ca2I4.mop

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Ca2I4
 H=-140.8  HR=PW91D
 Ca         0.00000000  0    0.0000000  0    0.0000000  0                      0.0000
  I         2.98342400  0    0.0000000  0    0.0000000  0    1    0    0       0.0000
  I         2.82820600  0  133.2533440  0    0.0000000  0    1    2    0       0.0000
 Ca         2.98325300  0   86.5298600  0 -180.0000000  0    2    1    3       0.0000
  I         2.82814100  0  133.2760170  0 -180.0000000  0    4    2    1       0.0000
  I         2.98325800  0   93.4728700  0 -180.0000000  0    4    2    5       0.0000