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Transitions — Left-clk & drag: Zoom; Right-clk: reset |
Number of atoms | 64 |
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Weight | 526.1721 amu |
Total energy | -1611.793 Hartree |
Zero-point energy | 316.1446 Kcal/mol |
Scaling factor | multiple (3) |
Method | UB3LYP |
State | 2-A' |
Solo hydrogens | 2 |
Duo hydrogens | 2 |
Trio hydrogens | 6 |
Quartet hydrogens | 12 |
Quintet hydrogens | 0 |
CH2 | 0 |
CHx | 0 |
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Comment(s)
# int=(grid ultrafine) iop(5/22=1012,5/37=