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	hartrees
Energy at 0K	-365.539954
Energy at 298.15K	-365.546385
HF Energy	-365.539954
Nuclear repulsion energy	58.595995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2797	2588	7.41
2	A₁	2709	2507	18.94
3	A₁	1311	1212	63.83
4	A₁	1165	1077	217.26
5	A₁	539	499	0.73
6	A₂	178	164	0.00
7	E	2961	2739	24.18
7	E	2961	2739	24.17
8	E	2765	2558	4.75
8	E	2765	2558	4.75
9	E	1388	1285	5.70
9	E	1388	1285	5.69
10	E	1272	1177	14.07
10	E	1272	1177	14.07
11	E	980	907	0.57
11	E	980	907	0.57
12	E	434	402	0.44
12	E	434	402	0.44

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.422
P2	0.000	0.000	0.565
H3	0.000	-1.144	-1.703
H4	-0.991	0.572	-1.703
H5	0.991	0.572	-1.703
H6	0.000	1.237	1.248
H7	-1.071	-0.619	1.248
H8	1.071	-0.619	1.248

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9872	1.1776	1.1776	1.1776	2.9429	2.9429	2.9429
P2	1.9872		2.5396	2.5396	2.5396	1.4132	1.4132	1.4132
H3	1.1776	2.5396		1.9811	1.9811	3.7913	3.1827	3.1827
H4	1.1776	2.5396	1.9811		1.9811	3.1827	3.1827	3.7913
H5	1.1776	2.5396	1.9811	1.9811		3.1827	3.7913	3.1827
H6	2.9429	1.4132	3.7913	3.1827	3.1827		2.1428	2.1428
H7	2.9429	1.4132	3.1827	3.1827	3.7913	2.1428		2.1428
H8	2.9429	1.4132	3.1827	3.7913	3.1827	2.1428	2.1428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.904	B1	P2	H7	118.904
B1	P2	H8	118.904	P2	B1	H3	103.771
P2	B1	H4	103.771	P2	B1	H5	103.771
H3	B1	H4	114.519	H3	B1	H5	114.519
H4	B1	H5	114.519	H6	P2	H7	98.602
H6	P2	H8	98.602	H7	P2	H8	98.602

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

using model chemistry: BLYP/STO-3G

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	-0.162
2	P	0.492
3	H	-0.087
4	H	-0.087
5	H	-0.087
6	H	-0.023
7	H	-0.023
8	H	-0.023

<r²>	50.876
(<r²>)^1/2	7.133

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

using model chemistry: BLYP/STO-3G

States and conformations

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