File: Pt6.mop

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*
*   392.578
*
 UHF SYMMETRY KING MS=1 PM7
Pt6
 H=393.6 HR=DMOL NOSCALE
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Pt     2.77620761 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Pt     2.77620761 +0   60.0000000 +0    0.0000000 +0     1     2     0
 Pt     2.54223823 +1   60.0000000 +0 -180.0000000 +0     3     1     2
 Pt     2.54223823 +0  115.9954025 +1 -180.0000000 +0     3     1     4
 Pt     2.54223823 +0   56.0399999 +1 -180.0000000 +0     1     2     3
 
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   4  1    5    6