File: fecl3.mop

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*
*   -15.927
*
 UHF PULAY QUARTET PM7
FeCl3
 HR=WEPS1982 H=-60.7
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.09739756 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.09547981 +1   87.1036325 +1    0.0000000 +0     1     2     0
 Cl     2.03927211 +1  136.4231816 +1 -179.9436193 +1     1     2     3