|
Transitions — Left-clk & drag: Zoom; Right-clk: reset |
Number of atoms | 31 |
---|---|
Weight | 240.0939 amu |
Total energy | -730.3381 Hartree |
Zero-point energy | 157.0669 Kcal/mol |
Scaling factor | multiple (3) |
Method | RB3LYP |
State | 1-A |
Solo hydrogens | 1 |
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=1) guess=check geom=check