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uid 542
scaling factor 0.958

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This species has a counterpart in the experimental library

Details

Properties

Number of atoms 56
Weight 452.1565 amu
Total energy -1381.982 Hartree
Zero-point energy 272.1209 Kcal/mol
Scaling factor 0.958
Method UBP86
State Cs
Solo hydrogens 6
Duo hydrogens 0
Trio hydrogens 6
Quartet hydrogens 8
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)