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	hartrees
Energy at 0K	-369.327641
Energy at 298.15K
HF Energy	-368.905758
Nuclear repulsion energy	59.447006

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.381
P2	0.000	0.000	0.552
H3	0.000	-1.167	-1.659
H4	-1.011	0.584	-1.659
H5	1.011	0.584	-1.659
H6	0.000	1.237	1.204
H7	-1.071	-0.619	1.204
H8	1.071	-0.619	1.204

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9329	1.1997	1.1997	1.1997	2.8656	2.8656	2.8656
P2	1.9329		2.5000	2.5000	2.5000	1.3984	1.3984	1.3984
H3	1.1997	2.5000		2.0215	2.0215	3.7384	3.1055	3.1055
H4	1.1997	2.5000	2.0215		2.0215	3.1055	3.1055	3.7384
H5	1.1997	2.5000	2.0215	2.0215		3.1055	3.7384	3.1055
H6	2.8656	1.3984	3.7384	3.1055	3.1055		2.1427	2.1427
H7	2.8656	1.3984	3.1055	3.1055	3.7384	2.1427		2.1427
H8	2.8656	1.3984	3.1055	3.7384	3.1055	2.1427	2.1427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.789	B1	P2	H7	117.789
B1	P2	H8	117.789	P2	B1	H3	103.398
P2	B1	H4	103.398	P2	B1	H5	103.398
H3	B1	H4	114.801	H3	B1	H5	114.801
H4	B1	H5	114.801	H6	P2	H7	100.018
H6	P2	H8	100.018	H7	P2	H8	100.018

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

using model chemistry: MP3=FULL/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: MP3=FULL/daug-cc-pVTZ

States and conformations

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