Returns the principal axis of inertia of a molecule.
The corresponding moments of inertia are given by the function
MolPrincipalMoments. The i-th moment corresponds to the i-th column vector
returned by the MolPrincipalAxis function.
AtomsXYZ: The cells that contain in column 1 the atomic symbol and in
columns 2 to 4 the XYZ coordinates.
MolPrincipalAxis is an array function. Select 3x3 cells (3 rows, 3 columns)
and enter the formula. Then press CTRL+SHIFT+ENTER to create the array
Example: Calculate the principal axis of
B C D
1 C 0
1 0 0 3 O
0 Select cells B5:D7. Enter the following
formula =MolPrincipalAxis(A1:D3) Press CTRL+SHIFT+ENTER
B C D 1 C
0 2 O
1 0 0 3 O
0 4 5
0 6 0
0 1 0
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