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uid 154
scaling factor 0.958

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

This species has a counterpart in the experimental library

Details

Properties

Number of atoms 52
Weight 448.1252 amu
Total energy -1379.852 Hartree
Zero-point energy 253.654 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State C2h
Solo hydrogens 2
Duo hydrogens 8
Trio hydrogens 6
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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659 species present in version 1.32 of the theoretical database (Jun 1, 2013)