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	hartrees
Energy at 0K	-369.260678
Energy at 298.15K
HF Energy	-368.906130
Nuclear repulsion energy	59.022994

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.394
P2	0.000	0.000	0.557
H3	0.000	-1.174	-1.674
H4	-1.017	0.587	-1.674
H5	1.017	0.587	-1.674
H6	0.000	1.243	1.210
H7	-1.077	-0.622	1.210
H8	1.077	-0.622	1.210

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9518	1.2067	1.2067	1.2067	2.8860	2.8860	2.8860
P2	1.9518		2.5212	2.5212	2.5212	1.4040	1.4040	1.4040
H3	1.2067	2.5212		2.0332	2.0332	3.7629	3.1276	3.1276
H4	1.2067	2.5212	2.0332		2.0332	3.1276	3.1276	3.7629
H5	1.2067	2.5212	2.0332	2.0332		3.1276	3.7629	3.1276
H6	2.8860	1.4040	3.7629	3.1276	3.1276		2.1531	2.1531
H7	2.8860	1.4040	3.1276	3.1276	3.7629	2.1531		2.1531
H8	2.8860	1.4040	3.1276	3.7629	3.1276	2.1531	2.1531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.705	B1	P2	H7	117.705
B1	P2	H8	117.705	P2	B1	H3	103.393
P2	B1	H4	103.393	P2	B1	H5	103.393
H3	B1	H4	114.805	H3	B1	H5	114.805
H4	B1	H5	114.805	H6	P2	H7	100.124
H6	P2	H8	100.124	H7	P2	H8	100.124

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

using model chemistry: CCSD/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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