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Add in B3LYP-D3BJ/def2-TZVP data to the reference species database#413

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Add in B3LYP-D3BJ/def2-TZVP data to the reference species database#413
amarkpayne wants to merge 4 commits intomasterfrom
b3lyp_d3bj

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I have corrected this data for the species errors that we have encountered so far, including the species with the ground state electron configuration errors

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