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	hartrees
Energy at 0K	-369.328986
Energy at 298.15K
HF Energy	-368.905751
Nuclear repulsion energy	59.403566

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.381
P2	0.000	0.000	0.552
H3	0.000	-1.168	-1.663
H4	-1.012	0.584	-1.663
H5	1.012	0.584	-1.663
H6	0.000	1.239	1.202
H7	-1.073	-0.620	1.202
H8	1.073	-0.620	1.202

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9330	1.2019	1.2019	1.2019	2.8647	2.8647	2.8647
P2	1.9330		2.5048	2.5048	2.5048	1.3992	1.3992	1.3992
H3	1.2019	2.5048		2.0234	2.0234	3.7425	3.1086	3.1086
H4	1.2019	2.5048	2.0234		2.0234	3.1086	3.1086	3.7425
H5	1.2019	2.5048	2.0234	2.0234		3.1086	3.7425	3.1086
H6	2.8647	1.3992	3.7425	3.1086	3.1086		2.1462	2.1462
H7	2.8647	1.3992	3.1086	3.1086	3.7425	2.1462		2.1462
H8	2.8647	1.3992	3.1086	3.7425	3.1086	2.1462	2.1462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.675	B1	P2	H7	117.675
B1	P2	H8	117.675	P2	B1	H3	103.603
P2	B1	H4	103.603	P2	B1	H5	103.603
H3	B1	H4	114.647	H3	B1	H5	114.647
H4	B1	H5	114.647	H6	P2	H7	100.162
H6	P2	H8	100.162	H7	P2	H8	100.162

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

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

States and conformations

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