this statement is included in the log file when I do frequency calculations by gaussian 09
this warning can be neglected ?????
what this mean about the accuracy of enthalpy and other parameter ?????
the output is :
Atom 25 has atomic number 17 and mass 34.96885
Molecular mass: 698.55788 amu.
Principal axes and moments of inertia in atomic units:
1 2 3
Eigenvalues -- ******************************
X 0.99976 0.00000 -0.02175
Y 0.00000 1.00000 0.00000
Z 0.02175 0.00000 0.99976
This molecule is an asymmetric top.
Rotational symmetry number 1.
Warning -- assumption of classical behavior for rotation
may cause significant error
Rotational temperatures (Kelvin) 0.00639 0.00417 0.00340
Rotational constants (GHZ): 0.13324 0.08698 0.07086
Zero-point vibrational energy 369763.0 (Joules/Mol)
88.37547 (Kcal/Mol)
Warning -- explicit consideration of 33 degrees of freedom as
vibrations may cause significant error
Thank you