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[tsscds] Diff of /tags/2018/examples/FA_singletraj.dat
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Diff of /tags/2018/examples/FA_singletraj.dat

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revision 325, Sun Mar 17 09:18:24 2019 UTC revision 326, Sun Mar 17 09:18:51 2019 UTC
# Line 1  Line 1 
1  --General section--  --General section--
2  molecule FA  molecule FA
3    LowLevel pm7 threads=1
4  HighLevel b3lyp/6-31g(d,p)  HighLevel b3lyp/6-31g(d,p)
5  HL_rxn_network complete  HL_rxn_network complete
6  charge 0  charge 0
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