Table 1. The coefficients for the five-Gaussian approximation for implicit hydrogen atomic groups.

Atomic group	a 1	b 1	a 2	b 2	a 3	b 3	a 4	b 3	c
CH	0.894937	55.7145	0.894429	4.03158	3.78824	24.8323	3.14683 × 10−6	956.628	1.42149
CH2	1.61908	52.1451	2.27205	24.6589	2.1815	24.6587	1.9254 × 10−3	152.165	1.92445
CH3	12.5735	38.7341	−0.456658	−6.28167	5.71547	54.955	−11.711	47.898	2.87762
NH	5.06991 × 10−3	108.256	2.03147	14.6199	1.82122	14.628	2.06506	35.4102	2.07168
NH2	3.00872	28.3717	0.288137	63.9637	3.39248	3.51866	2.03511	28.3675	0.269952
NH3	0.294613	67.4408	6.48379	29.1576	5.67182	0.54735	6.57164	0.547493	−9.02757
OH	−2.73406	22.1288	9.66263 e-3	94.3428	6.64439	13.9044	2.67949	32.7607	2.39981
SH	−127.811	7.19935	62.5514	12.1591	160.747	1.88979	2.34822	55.952	−80.836