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uid 121
scaling factor multiple (3)

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Details

Properties

Number of atoms 100
Weight 958.1721 amu
Total energy -2982.28 Hartree
Zero-point energy 461.479 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-B3U
Solo hydrogens 10
Duo hydrogens 12
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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3,139 species present in version 3.00 of the theoretical database (Aug 18, 2017)