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	hartrees
Energy at 0K	-369.190361
Energy at 298.15K	-369.196963
HF Energy	-368.890449
Nuclear repulsion energy	58.981608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2556	2441	33.73
2	A₁	2482	2370	51.45
3	A₁	1150	1098	17.82
4	A₁	1070	1022	249.73
5	A₁	528	504	0.00
6	A₂	238	227	0.00
7	E	2573	2458	132.56
7	E	2573	2458	132.56
8	E	2555	2440	24.60
8	E	2555	2440	24.60
9	E	1194	1141	13.63
9	E	1194	1141	13.63
10	E	1176	1124	4.81
10	E	1176	1124	4.81
11	E	877	838	1.66
11	E	877	838	1.66
12	E	403	385	3.76
12	E	403	385	3.76

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.395
P2	0.000	0.000	0.561
H3	0.000	-1.173	-1.683
H4	-1.016	0.587	-1.683
H5	1.016	0.587	-1.683
H6	0.000	1.243	1.206
H7	-1.076	-0.621	1.206
H8	1.076	-0.621	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9558	1.2078	1.2078	1.2078	2.8828	2.8828	2.8828
P2	1.9558		2.5317	2.5317	2.5317	1.4004	1.4004	1.4004
H3	1.2078	2.5317		2.0317	2.0317	3.7659	3.1318	3.1318
H4	1.2078	2.5317	2.0317		2.0317	3.1318	3.1318	3.7659
H5	1.2078	2.5317	2.0317	2.0317		3.1318	3.7659	3.1318
H6	2.8828	1.4004	3.7659	3.1318	3.1318		2.1528	2.1528
H7	2.8828	1.4004	3.1318	3.1318	3.7659	2.1528		2.1528
H8	2.8828	1.4004	3.1318	3.7659	3.1318	2.1528	2.1528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.436	B1	P2	H7	117.436
B1	P2	H8	117.436	P2	B1	H3	103.782
P2	B1	H4	103.782	P2	B1	H5	103.782
H3	B1	H4	114.511	H3	B1	H5	114.511
H4	B1	H5	114.511	H6	P2	H7	100.460
H6	P2	H8	100.460	H7	P2	H8	100.460

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

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

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