The CcCR quartic force field (QFF) methodology is capable of computing $B_0$ and $C_0$ rotational constants to within 35 MHz (0.14%) of experiment for triatomic and larger molecules with at least two heavy atoms. Additionally, the same constants for molecules with four or more atoms agree to within 20 MHz (0.12%) of experiment for the current test set. This work also supports previous claims that the same QFF methodology can produce fundamental vibrational frequencies with a deviation less than 5.7 cm^-1 from experiment. Consequently, this approach of augmenting complete basis set extrapolated energies with treatments of core electron correlation and scalar relativity produces some of the most accurate rovibrational spectroscopic data available.

CcCR四次力场（QFF）方法能够计算 ${乙}_0$ 和 $C_0$对于具有至少两个重原子的三原子和较大分子，最大旋转常数在35 MHz（0.14％）以内。此外，对于具有四个或更多原子的分子，相同的常数在当前测试集的实验的20 MHz（0.12％）之内。这项工作还支持了先前的主张，即相同的QFF方法可以产生基本振动频率，与实验的偏差小于5.7 cm ^-1。因此，这种通过对核心电子相关性和标量相对论进行处理来增加完整基集外推能量的方法产生了一些最精确的旋转振动光谱数据。