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	hartrees
Energy at 0K	-12.484671
Energy at 298.15K	-12.491021
HF Energy	-12.484671
Nuclear repulsion energy	20.871283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2606	2340	30.18
2	A₁	2523	2265	123.93
3	A₁	1184	1063	49.35
4	A₁	1088	977	305.88
5	A₁	382	343	23.12
6	A₂	188	169	0.00
7	E	2630	2362	221.10
7	E	2630	2362	221.10
8	E	2607	2341	100.22
8	E	2607	2341	100.22
9	E	1234	1108	25.20
9	E	1234	1108	25.20
10	E	1220	1096	1.15
10	E	1220	1096	1.15
11	E	888	798	0.11
11	E	888	798	0.11
12	E	377	339	0.82
12	E	377	339	0.82

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.488
P2	0.000	0.000	0.595
H3	0.000	-1.183	-1.750
H4	-1.025	0.592	-1.750
H5	1.025	0.592	-1.750
H6	0.000	1.246	1.254
H7	-1.079	-0.623	1.254
H8	1.079	-0.623	1.254

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0836	1.2121	1.2121	1.2121	3.0124	3.0124	3.0124
P2	2.0836		2.6273	2.6273	2.6273	1.4099	1.4099	1.4099
H3	1.2121	2.6273		2.0498	2.0498	3.8641	3.2413	3.2413
H4	1.2121	2.6273	2.0498		2.0498	3.2413	3.2413	3.8641
H5	1.2121	2.6273	2.0498	2.0498		3.2413	3.8641	3.2413
H6	3.0124	1.4099	3.8641	3.2413	3.2413		2.1590	2.1590
H7	3.0124	1.4099	3.2413	3.2413	3.8641	2.1590		2.1590
H8	3.0124	1.4099	3.2413	3.8641	3.2413	2.1590	2.1590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.861	B1	P2	H7	117.861
B1	P2	H8	117.861	P2	B1	H3	102.487
P2	B1	H4	102.487	P2	B1	H5	102.487
H3	B1	H4	115.460	H3	B1	H5	115.460
H4	B1	H5	115.460	H6	P2	H7	99.928
H6	P2	H8	99.928	H7	P2	H8	99.928

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	B	-0.313
2	P	-0.040
3	H	0.028
4	H	0.028
5	H	0.028
6	H	0.090
7	H	0.090
8	H	0.090

	x	y	z	Total
	0.000	0.000	4.490	4.490
CHELPG
AIM
ESP

<r²>	45.911
(<r²>)^1/2	6.776

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

using model chemistry: HF/CEP-31G*

States and conformations

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