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	hartrees
Energy at 0K	-369.250849
Energy at 298.15K	-369.257389
HF Energy	-368.905490
Nuclear repulsion energy	59.129805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2530	2390	23.70
2	A₁	2492	2354	45.47
3	A₁	1121	1059	29.52
4	A₁	1037	980	204.55
5	A₁	527	498	0.79
6	A₂	237	224	0.00
7	E	2580	2438	128.25
7	E	2580	2438	128.25
8	E	2541	2401	2.41
8	E	2541	2401	2.41
9	E	1185	1120	6.95
9	E	1185	1120	6.95
10	E	1159	1095	4.58
10	E	1159	1095	4.58
11	E	851	804	2.90
11	E	851	804	2.90
12	E	384	363	0.76
12	E	384	363	0.76

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.392
P2	0.000	0.000	0.556
H3	0.000	-1.171	-1.671
H4	-1.014	0.585	-1.671
H5	1.014	0.585	-1.671
H6	0.000	1.240	1.209
H7	-1.074	-0.620	1.209
H8	1.074	-0.620	1.209

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9485	1.2037	1.2037	1.2037	2.8818	2.8818	2.8818
P2	1.9485		2.5167	2.5167	2.5167	1.4017	1.4017	1.4017
H3	1.2037	2.5167		2.0279	2.0279	3.7564	3.1231	3.1231
H4	1.2037	2.5167	2.0279		2.0279	3.1231	3.1231	3.7564
H5	1.2037	2.5167	2.0279	2.0279		3.1231	3.7564	3.1231
H6	2.8818	1.4017	3.7564	3.1231	3.1231		2.1486	2.1486
H7	2.8818	1.4017	3.1231	3.1231	3.7564	2.1486		2.1486
H8	2.8818	1.4017	3.1231	3.7564	3.1231	2.1486	2.1486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.749	B1	P2	H7	117.749
B1	P2	H8	117.749	P2	B1	H3	103.415
P2	B1	H4	103.415	P2	B1	H5	103.415
H3	B1	H4	114.788	H3	B1	H5	114.788
H4	B1	H5	114.788	H6	P2	H7	100.068
H6	P2	H8	100.068	H7	P2	H8	100.069

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

using model chemistry: MP3/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/cc-pVTZ

States and conformations

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