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	hartrees
Energy at 0K	-369.374665
Energy at 298.15K
HF Energy	-368.912687
Nuclear repulsion energy	59.500658

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.377
P2	0.000	0.000	0.551
H3	0.000	-1.170	-1.658
H4	-1.013	0.585	-1.658
H5	1.013	0.585	-1.658
H6	0.000	1.237	1.201
H7	-1.071	-0.618	1.201
H8	1.071	-0.618	1.201

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9277	1.2031	1.2031	1.2031	2.8596	2.8596	2.8596
P2	1.9277		2.4996	2.4996	2.4996	1.3975	1.3975	1.3975
H3	1.2031	2.4996		2.0261	2.0261	3.7375	3.1030	3.1030
H4	1.2031	2.4996	2.0261		2.0261	3.1030	3.1030	3.7375
H5	1.2031	2.4996	2.0261	2.0261		3.1030	3.7375	3.1030
H6	2.8596	1.3975	3.7375	3.1030	3.1030		2.1422	2.1422
H7	2.8596	1.3975	3.1030	3.1030	3.7375	2.1422		2.1422
H8	2.8596	1.3975	3.1030	3.7375	3.1030	2.1422	2.1422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.744	B1	P2	H7	117.744
B1	P2	H8	117.744	P2	B1	H3	103.521
P2	B1	H4	103.521	P2	B1	H5	103.521
H3	B1	H4	114.709	H3	B1	H5	114.709
H4	B1	H5	114.709	H6	P2	H7	100.075
H6	P2	H8	100.075	H7	P2	H8	100.075

All results from a given calculation for BH₃PH₃ (borane phosphine)

using model chemistry: CCSD(T)=FULL/cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: CCSD(T)=FULL/cc-pVQZ

States and conformations

All results from a given calculation for BH₃PH₃ (borane phosphine)