I use g09 and I got this
Principal axes and moments of inertia in atomic units:
1 2 3
Eigenvalues -- 51.67816 193.73001 219.25348
X 0.99974 0.01454 0.01760
Y -0.01356 0.99841 -0.05477
Z -0.01837 0.05452 0.99834
How could I determine the moment of inertia for the whole molecule not the three axes ?
I attached the log file
thanks