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Transitions — Left-clk & drag: Zoom; Right-clk: reset |
Number of atoms | 21 |
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Weight | 252 amu |
Total energy | -798.383 Hartree |
Zero-point energy | 69.2798 Kcal/mol |
Scaling factor | multiple (2) |
Method | UB3LYP |
State | 7-B1 |
Solo hydrogens | 0 |
Duo hydrogens | 0 |
Trio hydrogens | 0 |
Quartet hydrogens | 0 |
Quintet hydrogens | 0 |
CH2 | 0 |
CHx | 0 |
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Comment(s)
# iop(5/13=1,5/22 1012,5/37=1) scf=novaracc