You need a browser with JavaScript support in order to view the molecule in 3D |
|
Transitions — Left-clk & drag: Zoom; Right-clk: reset |
Number of atoms | 42 |
---|---|
Weight | 350.1096 amu |
Total energy | -1074.096 Hartree |
Zero-point energy | 197.0594 Kcal/mol |
Scaling factor | multiple (3) |
Method | UBP86 |
State | 2-A' |
Solo hydrogens | 0 |
Duo hydrogens | 14 |
Trio hydrogens | 0 |
Quartet hydrogens | 0 |
Quintet hydrogens | 0 |
CH2 | 0 |
CHx | 0 |
You are kindly asked to consider the following references for citation when using the database:
Comment(s)
# int=(acc2e=12,grid=SuperFi eGrid) scf=(maxcycles=200,conver=10)