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	hartrees
Energy at 0K	-369.546327
Energy at 298.15K	-369.552785
HF Energy	-369.546327
Nuclear repulsion energy	58.871227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2421	2394	27.49
2	A₁	2408	2380	70.55
3	A₁	1054	1042	1.01
4	A₁	991	979	187.40
5	A₁	547	541	5.53
6	A₂	249	246	0.00
7	E	2505	2476	116.49
7	E	2505	2476	116.50
8	E	2420	2393	20.10
8	E	2420	2393	20.11
9	E	1108	1095	5.25
9	E	1108	1095	5.25
10	E	1091	1078	1.85
10	E	1091	1078	1.85
11	E	813	804	2.44
11	E	813	804	2.44
12	E	375	371	0.04
12	E	375	371	0.04

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.551
H3	0.000	-1.182	-1.675
H4	-1.024	0.591	-1.675
H5	1.024	0.591	-1.675
H6	0.000	1.251	1.230
H7	-1.083	-0.625	1.230
H8	1.083	-0.625	1.230

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9360	1.2176	1.2176	1.2176	2.8989	2.8989	2.8989
P2	1.9360		2.5208	2.5208	2.5208	1.4231	1.4231	1.4231
H3	1.2176	2.5208		2.0481	2.0481	3.7898	3.1506	3.1506
H4	1.2176	2.5208	2.0481		2.0481	3.1506	3.1506	3.7898
H5	1.2176	2.5208	2.0481	2.0481		3.1506	3.7898	3.1506
H6	2.8989	1.4231	3.7898	3.1506	3.1506		2.1660	2.1660
H7	2.8989	1.4231	3.1506	3.1506	3.7898	2.1660		2.1660
H8	2.8989	1.4231	3.1506	3.7898	3.1506	2.1660	2.1660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.512	B1	P2	H7	118.513
B1	P2	H8	118.513	P2	B1	H3	103.793
P2	B1	H4	103.793	P2	B1	H5	103.793
H3	B1	H4	114.503	H3	B1	H5	114.503
H4	B1	H5	114.503	H6	P2	H7	99.103
H6	P2	H8	99.103	H7	P2	H8	99.103

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

using model chemistry: PBEPBE/6-31+G**

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	-0.419
2	P	0.271
3	H	0.005
4	H	0.005
5	H	0.005
6	H	0.044
7	H	0.044
8	H	0.044

	x	y	z	Total
	0.000	0.000	4.058	4.058
CHELPG
AIM
ESP

<r²>	51.496
(<r²>)^1/2	7.176

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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