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uid 428
symmetry Cs
scaling factor 0.958



Number of atoms 13
Weight 94.04186 amu
Total energy -307.0658 Hartree
Zero-point energy 66.2715 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State Cs
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 5
CH2 0
CHx 0




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700 species present in version 2.00 of the theoretical database (Oct 29, 2013)