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	hartrees
Energy at 0K	-368.913484
Energy at 298.15K	-368.920071
HF Energy	-368.913484
Nuclear repulsion energy	58.577000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2611	2371	27.43
2	A₁	2513	2283	71.83
3	A₁	1204	1094	55.45
4	A₁	1113	1011	250.85
5	A₁	455	413	1.69
6	A₂	226	206	0.00
7	E	2616	2377	68.96
7	E	2616	2377	68.96
8	E	2567	2331	152.62
8	E	2567	2331	152.62
9	E	1253	1138	14.78
9	E	1253	1138	14.78
10	E	1229	1116	4.82
10	E	1229	1116	4.82
11	E	906	823	2.57
11	E	906	823	2.57
12	E	410	372	2.11
12	E	410	372	2.11

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.420
P2	0.000	0.000	0.572
H3	0.000	-1.172	-1.701
H4	-1.015	0.586	-1.701
H5	1.015	0.586	-1.701
H6	0.000	1.241	1.207
H7	-1.075	-0.620	1.207
H8	1.075	-0.620	1.207

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9927	1.2053	1.2053	1.2053	2.9057	2.9057	2.9057
P2	1.9927		2.5581	2.5581	2.5581	1.3938	1.3938	1.3938
H3	1.2053	2.5581		2.0301	2.0301	3.7792	3.1494	3.1494
H4	1.2053	2.5581	2.0301		2.0301	3.1494	3.1494	3.7792
H5	1.2053	2.5581	2.0301	2.0301		3.1494	3.7792	3.1494
H6	2.9057	1.3938	3.7792	3.1494	3.1494		2.1493	2.1493
H7	2.9057	1.3938	3.1494	3.1494	3.7792	2.1493		2.1493
H8	2.9057	1.3938	3.1494	3.7792	3.1494	2.1493	2.1493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.092	B1	P2	H7	117.092
B1	P2	H8	117.092	P2	B1	H3	103.487
P2	B1	H4	103.487	P2	B1	H5	103.487
H3	B1	H4	114.734	H3	B1	H5	114.734
H4	B1	H5	114.734	H6	P2	H7	100.887
H6	P2	H8	100.887	H7	P2	H8	100.887

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

using model chemistry: HF/cc-pVQZ

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	-0.154
2	P	0.466
3	H	-0.102
4	H	-0.102
5	H	-0.102
6	H	-0.002
7	H	-0.002
8	H	-0.002

<r²>	52.433
(<r²>)^1/2	7.241

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

using model chemistry: HF/cc-pVQZ

States and conformations

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