Each IRC was constructed from a
total of 65 or 154 steps (B3LYP/6-31G* level) and of 75 or
143 steps (B3LYP/6-311G(2d,p) level) to an accuracy of 0.1
amu1/2âbohr of s, in which s is the length of the IRC.

我们应该怎么定义IRC的步长达到  0.1amu1/2âbohr of s?

Gaussian的话直接设stepsize=10就可以了，Gaussian里面stepsize的单位是0.01 amu1/2-Bohr