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Transitions — Left-clk & drag: Zoom; Right-clk: reset |
Number of atoms | 140 |
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Weight | 1372.219 amu |
Total energy | -4280.094 Hartree |
Zero-point energy | 617.3649 Kcal/mol |
Scaling factor | multiple (3) |
Method | UBP86 |
State | 2-A' |
Solo hydrogens | 14 |
Duo hydrogens | 14 |
Trio hydrogens | 0 |
Quartet hydrogens | 0 |
Quintet hydrogens | 0 |
CH2 | 0 |
CHx | 0 |
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Comment(s)
# int=(acc2e=12,grid=SuperFi eGrid) scf=(maxcycles=200,conv