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	hartrees
Energy at 0K	-12.433387
Energy at 298.15K	-12.439604
HF Energy	-12.433387
Nuclear repulsion energy	20.555044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2530	2308	46.86
2	A₁	2506	2287	63.15
3	A₁	1179	1076	182.16
4	A₁	1058	966	192.75
5	A₁	301	275	48.16
6	A₂	157	143	0.00
7	E	2629	2399	266.17
7	E	2629	2399	266.17
8	E	2537	2315	24.85
8	E	2537	2315	24.85
9	E	1220	1113	22.63
9	E	1220	1113	22.63
10	E	1209	1103	3.32
10	E	1209	1103	3.32
11	E	887	809	0.10
11	E	887	809	0.10
12	E	364	332	0.45
12	E	364	332	0.45

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.551
P2	0.000	0.000	0.619
H3	0.000	-1.182	-1.789
H4	-1.024	0.591	-1.789
H5	1.024	0.591	-1.789
H6	0.000	1.259	1.280
H7	-1.090	-0.630	1.280
H8	1.090	-0.630	1.280

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.1692	1.2061	1.2061	1.2061	3.0979	3.0979	3.0979
P2	2.1692		2.6825	2.6825	2.6825	1.4221	1.4221	1.4221
H3	1.2061	2.6825		2.0476	2.0476	3.9217	3.3037	3.3037
H4	1.2061	2.6825	2.0476		2.0476	3.3037	3.3037	3.9217
H5	1.2061	2.6825	2.0476	2.0476		3.3037	3.9217	3.3037
H6	3.0979	1.4221	3.9217	3.3037	3.3037		2.1808	2.1808
H7	3.0979	1.4221	3.3037	3.3037	3.9217	2.1808		2.1808
H8	3.0979	1.4221	3.3037	3.9217	3.3037	2.1808	2.1808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.708	B1	P2	H7	117.708
B1	P2	H8	117.708	P2	B1	H3	101.418
P2	B1	H4	101.418	P2	B1	H5	101.418
H3	B1	H4	116.182	H3	B1	H5	116.182
H4	B1	H5	116.182	H6	P2	H7	100.120
H6	P2	H8	100.120	H7	P2	H8	100.120

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

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	B	-0.079
2	P	0.295
3	H	-0.070
4	H	-0.070
5	H	-0.070
6	H	-0.002
7	H	-0.002
8	H	-0.002

<r²>	47.881
(<r²>)^1/2	6.920

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

using model chemistry: HF/CEP-121G

States and conformations

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