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	hartrees
Energy at 0K	-368.880245
Energy at 298.15K	-368.886768
HF Energy	-368.880245
Nuclear repulsion energy	57.995313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2600	2368	28.85
2	A₁	2515	2290	73.37
3	A₁	1190	1084	78.53
4	A₁	1091	993	229.96
5	A₁	437	398	4.25
6	A₂	218	198	0.00
7	E	2613	2380	87.56
7	E	2613	2380	87.56
8	E	2576	2345	141.22
8	E	2576	2345	141.22
9	E	1240	1130	14.98
9	E	1240	1130	14.98
10	E	1218	1109	3.33
10	E	1218	1109	3.33
11	E	896	816	1.96
11	E	896	816	1.96
12	E	395	359	1.64
12	E	395	359	1.64

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.439
P2	0.000	0.000	0.579
H3	0.000	-1.182	-1.715
H4	-1.024	0.591	-1.715
H5	1.024	0.591	-1.715
H6	0.000	1.252	1.220
H7	-1.084	-0.626	1.220
H8	1.084	-0.626	1.220

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0173	1.2140	1.2140	1.2140	2.9387	2.9387	2.9387
P2	2.0173		2.5801	2.5801	2.5801	1.4067	1.4067	1.4067
H3	1.2140	2.5801		2.0476	2.0476	3.8128	3.1777	3.1777
H4	1.2140	2.5801	2.0476		2.0476	3.1777	3.1777	3.8128
H5	1.2140	2.5801	2.0476	2.0476		3.1777	3.8128	3.1777
H6	2.9387	1.4067	3.8128	3.1777	3.1777		2.1683	2.1683
H7	2.9387	1.4067	3.1777	3.1777	3.8128	2.1683		2.1683
H8	2.9387	1.4067	3.1777	3.8128	3.1777	2.1683	2.1683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.131	B1	P2	H7	117.131
B1	P2	H8	117.131	P2	B1	H3	103.145
P2	B1	H4	103.145	P2	B1	H5	103.145
H3	B1	H4	114.988	H3	B1	H5	114.988
H4	B1	H5	114.988	H6	P2	H7	100.840
H6	P2	H8	100.840	H7	P2	H8	100.840

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

using model chemistry: HF/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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Number	Element	Mulliken
1	B	-0.736
2	P	-0.734
3	H	0.229
4	H	0.229
5	H	0.229
6	H	0.261
7	H	0.261
8	H	0.261

	x	y	z	Total
	0.000	0.000	4.423	4.423
CHELPG
AIM
ESP

<r²>	53.282
(<r²>)^1/2	7.299

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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