File: v2r.mop

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mopac 22.0.6%2Bdfsg-1
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*  -129.548
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 TRIPLET SHIFT=4 OPEN(4,5) PM7
Vanadium, dimer
 <V-V> GR=LSMH1984 GWT=0.01
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  V     1.77000000 +1    0.0000000 +0    0.0000000 +0     1     0     0