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	hartrees
Energy at 0K	-369.316887
Energy at 298.15K
HF Energy	-368.905149
Nuclear repulsion energy	59.440918

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.379
P2	0.000	0.000	0.552
H3	0.000	-1.164	-1.667
H4	-1.008	0.582	-1.667
H5	1.008	0.582	-1.667
H6	0.000	1.239	1.203
H7	-1.073	-0.619	1.203
H8	1.073	-0.619	1.203

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9312	1.1987	1.1987	1.1987	2.8636	2.8636	2.8636
P2	1.9312		2.5056	2.5056	2.5056	1.3991	1.3991	1.3991
H3	1.1987	2.5056		2.0154	2.0154	3.7424	3.1116	3.1116
H4	1.1987	2.5056	2.0154		2.0154	3.1116	3.1116	3.7424
H5	1.1987	2.5056	2.0154	2.0154		3.1116	3.7424	3.1116
H6	2.8636	1.3991	3.7424	3.1116	3.1116		2.1454	2.1454
H7	2.8636	1.3991	3.1116	3.1116	3.7424	2.1454		2.1454
H8	2.8636	1.3991	3.1116	3.7424	3.1116	2.1454	2.1454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.713	B1	P2	H7	117.713
B1	P2	H8	117.713	P2	B1	H3	103.893
P2	B1	H4	103.893	P2	B1	H5	103.893
H3	B1	H4	114.427	H3	B1	H5	114.427
H4	B1	H5	114.427	H6	P2	H7	100.114
H6	P2	H8	100.114	H7	P2	H8	100.114

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

using model chemistry: CCSD=FULL/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=FULL/cc-pVTZ

States and conformations

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