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uid 2304
scaling factor multiple (3)

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Details

Properties

Number of atoms 40
Weight 315.1174 amu
Total energy -960.4992 Hartree
Zero-point energy 201.1278 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A"
Solo hydrogens 3
Duo hydrogens 2
Trio hydrogens 6
Quartet hydrogens 4
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)