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Transitions — Left-clk & drag: Zoom; Right-clk: reset |
Number of atoms | 41 |
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Weight | 338.1096 amu |
Total energy | -1036.043 Hartree |
Zero-point energy | 203.116 Kcal/mol |
Scaling factor | multiple (3) |
Method | RB3LYP |
State | 1-A' |
Solo hydrogens | 3 |
Duo hydrogens | 6 |
Trio hydrogens | 3 |
Quartet hydrogens | 0 |
Quintet hydrogens | 0 |
CH2 | 2 |
CHx | 0 |
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Comment(s)
# int=(grid ultrafine) iop(5/22=1012,5/37=