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	hartrees
Energy at 0K	-369.091071
Energy at 298.15K	-369.097635
HF Energy	-368.852570
Nuclear repulsion energy	58.731876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2535	2400	25.40
2	A₁	2512	2378	55.98
3	A₁	1146	1085	29.34
4	A₁	1061	1005	199.41
5	A₁	517	490	0.04
6	A₂	247	234	0.00
7	E	2603	2464	124.03
7	E	2603	2464	124.03
8	E	2548	2412	20.88
8	E	2548	2412	20.88
9	E	1185	1121	5.28
9	E	1185	1121	5.28
10	E	1148	1087	9.46
10	E	1148	1087	9.46
11	E	886	838	1.95
11	E	886	838	1.95
12	E	400	378	1.58
12	E	400	378	1.58

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.401
P2	0.000	0.000	0.561
H3	0.000	-1.175	-1.690
H4	-1.018	0.588	-1.690
H5	1.018	0.588	-1.690
H6	0.000	1.247	1.219
H7	-1.080	-0.624	1.219
H8	1.080	-0.624	1.219

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9618	1.2104	1.2104	1.2104	2.9017	2.9017	2.9017
P2	1.9618		2.5391	2.5391	2.5391	1.4101	1.4101	1.4101
H3	1.2104	2.5391		2.0358	2.0358	3.7855	3.1516	3.1516
H4	1.2104	2.5391	2.0358		2.0358	3.1516	3.1516	3.7855
H5	1.2104	2.5391	2.0358	2.0358		3.1516	3.7855	3.1516
H6	2.9017	1.4101	3.7855	3.1516	3.1516		2.1599	2.1599
H7	2.9017	1.4101	3.1516	3.1516	3.7855	2.1599		2.1599
H8	2.9017	1.4101	3.1516	3.7855	3.1516	2.1599	2.1599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.829	B1	P2	H7	117.829
B1	P2	H8	117.829	P2	B1	H3	103.806
P2	B1	H4	103.806	P2	B1	H5	103.806
H3	B1	H4	114.493	H3	B1	H5	114.493
H4	B1	H5	114.493	H6	P2	H7	99.968
H6	P2	H8	99.968	H7	P2	H8	99.968

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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