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	hartrees
Energy at 0K	-34.412363
Energy at 298.15K	-34.418536
HF Energy	-34.412363
Nuclear repulsion energy	26.778956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2561	2305	54.82
2	A₁	2528	2275	43.63
3	A₁	1179	1061	125.80
4	A₁	1063	957	176.19
5	A₁	286	257	46.66
6	A₂	156	140	0.00
7	E	2659	2393	236.73
7	E	2659	2393	236.73
8	E	2552	2296	20.27
8	E	2552	2296	20.27
9	E	1238	1114	16.75
9	E	1238	1114	16.75
10	E	1207	1086	4.54
10	E	1207	1086	4.54
11	E	889	800	0.02
11	E	889	800	0.02
12	E	368	331	0.00
12	E	368	331	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.545
P2	0.000	0.000	0.620
H3	0.000	-1.177	-1.788
H4	-1.019	0.589	-1.788
H5	1.019	0.589	-1.788
H6	0.000	1.252	1.264
H7	-1.084	-0.626	1.264
H8	1.084	-0.626	1.264

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.1644	1.2021	1.2021	1.2021	3.0749	3.0749	3.0749
P2	2.1644		2.6805	2.6805	2.6805	1.4081	1.4081	1.4081
H3	1.2021	2.6805		2.0389	2.0389	3.9010	3.2856	3.2856
H4	1.2021	2.6805	2.0389		2.0389	3.2856	3.2856	3.9010
H5	1.2021	2.6805	2.0389	2.0389		3.2856	3.9010	3.2856
H6	3.0749	1.4081	3.9010	3.2856	3.2856		2.1689	2.1689
H7	3.0749	1.4081	3.2856	3.2856	3.9010	2.1689		2.1689
H8	3.0749	1.4081	3.2856	3.9010	3.2856	2.1689	2.1689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.213	B1	P2	H7	117.213
B1	P2	H8	117.213	P2	B1	H3	101.702
P2	B1	H4	101.702	P2	B1	H5	101.702
H3	B1	H4	115.995	H3	B1	H5	115.995
H4	B1	H5	115.995	H6	P2	H7	100.738
H6	P2	H8	100.738	H7	P2	H8	100.738

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

using model chemistry: HF/LANL2DZ

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	-0.348
2	P	0.274
3	H	0.028
4	H	0.028
5	H	0.028
6	H	-0.003
7	H	-0.003
8	H	-0.003

<r²>	52.436
(<r²>)^1/2	7.241

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

using model chemistry: HF/LANL2DZ

States and conformations

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