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	hartrees
Energy at 0K	-369.603338
Energy at 298.15K
HF Energy	-369.513019
Nuclear repulsion energy	58.611799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2482	2388	31.77
2	A₁	2469	2376	48.02
3	A₁	1100	1059	41.77
4	A₁	1013	975	189.35
5	A₁	512	493	0.35
6	A₂	227	218	0.00
7	E	2551	2455	140.55
7	E	2551	2455	140.56
8	E	2498	2403	4.32
8	E	2498	2403	4.32
9	E	1160	1116	7.62
9	E	1160	1116	7.62
10	E	1130	1088	2.99
10	E	1130	1088	2.99
11	E	837	806	2.91
11	E	837	805	2.91
12	E	374	359	0.44
12	E	374	359	0.44

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.403
P2	0.000	0.000	0.560
H3	0.000	-1.181	-1.684
H4	-1.023	0.590	-1.684
H5	1.023	0.590	-1.684
H6	0.000	1.253	1.222
H7	-1.085	-0.626	1.222
H8	1.085	-0.626	1.222

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9634	1.2139	1.2139	1.2139	2.9093	2.9093	2.9093
P2	1.9634		2.5359	2.5359	2.5359	1.4169	1.4169	1.4169
H3	1.2139	2.5359		2.0455	2.0455	3.7907	3.1515	3.1515
H4	1.2139	2.5359	2.0455		2.0455	3.1515	3.1515	3.7907
H5	1.2139	2.5359	2.0455	2.0455		3.1515	3.7907	3.1515
H6	2.9093	1.4169	3.7907	3.1515	3.1515		2.1696	2.1696
H7	2.9093	1.4169	3.1515	3.1515	3.7907	2.1696		2.1696
H8	2.9093	1.4169	3.1515	3.7907	3.1515	2.1696	2.1696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.870	B1	P2	H7	117.870
B1	P2	H8	117.870	P2	B1	H3	103.368
P2	B1	H4	103.368	P2	B1	H5	103.368
H3	B1	H4	114.823	H3	B1	H5	114.823
H4	B1	H5	114.823	H6	P2	H7	99.917
H6	P2	H8	99.917	H7	P2	H8	99.917

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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