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[tsscds] Diff of /tags/2018/examples/FA_canonical.dat
[tsscds]
/
tags
/
2018
/
examples
/
FA_canonical.dat
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tsscds
Diff of /tags/2018/examples/FA_canonical.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
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--General section--
--General section--
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molecule FA
molecule FA
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LowLevel pm7 threads=1
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HighLevel b3lyp/6-31g(d,p)
HighLevel b3lyp/6-31g(d,p)
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HL_rxn_network complete
HL_rxn_network complete
6
charge 0
charge 0
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root@forge.cesga.es
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