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	hartrees
Energy at 0K	-369.225253
Energy at 298.15K
HF Energy	-368.906204
Nuclear repulsion energy	59.143890

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.393
P2	0.000	0.000	0.558
H3	0.000	-1.170	-1.673
H4	-1.013	0.585	-1.673
H5	1.013	0.585	-1.673
H6	0.000	1.240	1.205
H7	-1.074	-0.620	1.205
H8	1.074	-0.620	1.205

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9510	1.2027	1.2027	1.2027	2.8783	2.8783	2.8783
P2	1.9510		2.5193	2.5193	2.5193	1.3984	1.3984	1.3984
H3	1.2027	2.5193		2.0259	2.0259	3.7534	3.1204	3.1204
H4	1.2027	2.5193	2.0259		2.0259	3.1204	3.1204	3.7534
H5	1.2027	2.5193	2.0259	2.0259		3.1204	3.7534	3.1204
H6	2.8783	1.3984	3.7534	3.1204	3.1204		2.1478	2.1478
H7	2.8783	1.3984	3.1204	3.1204	3.7534	2.1478		2.1478
H8	2.8783	1.3984	3.1204	3.7534	3.1204	2.1478	2.1478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.534	B1	P2	H7	117.534
B1	P2	H8	117.534	P2	B1	H3	103.475
P2	B1	H4	103.475	P2	B1	H5	103.475
H3	B1	H4	114.743	H3	B1	H5	114.743
H4	B1	H5	114.743	H6	P2	H7	100.338
H6	P2	H8	100.338	H7	P2	H8	100.338

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

using model chemistry: CISD/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: CISD/daug-cc-pVTZ

States and conformations

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