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	hartrees
Energy at 0K	-369.241651
Energy at 298.15K
HF Energy	-368.912800
Nuclear repulsion energy	59.514420

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.377
P2	0.000	0.000	0.550
H3	0.000	-1.170	-1.655
H4	-1.013	0.585	-1.655
H5	1.013	0.585	-1.655
H6	0.000	1.239	1.199
H7	-1.073	-0.619	1.199
H8	1.073	-0.619	1.199

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9270	1.2023	1.2023	1.2023	2.8585	2.8585	2.8585
P2	1.9270		2.4961	2.4961	2.4961	1.3986	1.3986	1.3986
H3	1.2023	2.4961		2.0261	2.0261	3.7346	3.0984	3.0984
H4	1.2023	2.4961	2.0261		2.0261	3.0984	3.0984	3.7346
H5	1.2023	2.4961	2.0261	2.0261		3.0984	3.7346	3.0984
H6	2.8585	1.3986	3.7346	3.0984	3.0984		2.1456	2.1456
H7	2.8585	1.3986	3.0984	3.0984	3.7346	2.1456		2.1456
H8	2.8585	1.3986	3.0984	3.7346	3.0984	2.1456	2.1456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.656	B1	P2	H7	117.656
B1	P2	H8	117.656	P2	B1	H3	103.371
P2	B1	H4	103.371	P2	B1	H5	103.371
H3	B1	H4	114.821	H3	B1	H5	114.821
H4	B1	H5	114.821	H6	P2	H7	100.186
H6	P2	H8	100.186	H7	P2	H8	100.186

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVQZ

States and conformations

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