Table 2.

Total energies (arbitrary units), zero-point vibrational energies and relative energies (kcal/mol)

	MP2/6-311+G**// MP2/6-311+G**	ZPE†	MP4(SDTQ)/6-311+G**//MP2/6-311+G**	Rel. energy‡, kcal/mol
H3N+BH3+1a	82.10296	40.7	82.13927	2.8
H3N+BH21b	82.10172	36.7	82.13731	0.0
H2NBH21c	81.80118	29.1	81.83471	182.3
H3N+BH5+1d	83.31232	53.7	83.35587	0.0
H3N+BH41e	83.27616	48.8	83.31895	18.3
H3P+BH3+2a	368.29369	34.2	368.34047	0.0
H3P+BH22b	368.26971	29.4	368.31531	11.0
H2PBH22c	367.95513	23.3	367.99940	203.1
H3P+BH5+2d	369.50727	46.8	369.56016	0.0
H3P+BH42e	369.45327	41.3	369.50513	29.0
H2O+BH3+3a	101.91317	32.4	101.94288	15.1
H2O+BH23b	101.93220	28.7	101.96102	0.0
HOBH23c	101.65843	21.6	101.68629	165.3
H2O+BH5+3d	103.11643	44.5	103.15340	0.0
H2O+BH43e	103.09736	40.0	103.13371	7.9
H2S+BH3+4a	424.49422	28.7	424.53832	1.2
H2S+BH24b	424.49084	24.3	424.53320	0.0
HSBH24c	424.21875	18.7	424.25812	167.0
H2S+BH5+4d	425.70157	40.9	425.75229	0.0
H2S+BH44e	425.66677	35.7	425.71583	17.7

^† Zero-point vibrational energies (ZPE) at MP2/6-311+G**//MP2/6-311+G** scaled by a factor of 0.96. 

^‡ Relative energies at MP4(SDTQ)/6-311+G**//MP2/6-311+G** + ZPE level.