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	hartrees
Energy at 0K	-369.770287
Energy at 298.15K	-369.776738
HF Energy	-369.770287
Nuclear repulsion energy	58.953911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2413	2413	26.98
2	A₁	2385	2385	56.11
3	A₁	1073	1073	4.37
4	A₁	1006	1006	207.34
5	A₁	512	512	3.04
6	A₂	237	237	0.00
7	E	2482	2482	115.34
7	E	2482	2482	115.34
8	E	2393	2393	14.40
8	E	2393	2393	14.40
9	E	1129	1129	6.62
9	E	1129	1129	6.63
10	E	1102	1102	2.47
10	E	1102	1102	2.47
11	E	817	817	4.23
11	E	817	817	4.23
12	E	380	380	0.10
12	E	380	380	0.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.389
P2	0.000	0.000	0.553
H3	0.000	-1.175	-1.677
H4	-1.017	0.587	-1.677
H5	1.017	0.587	-1.677
H6	0.000	1.246	1.225
H7	-1.079	-0.623	1.225
H8	1.079	-0.623	1.225

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9422	1.2092	1.2092	1.2092	2.8962	2.8962	2.8962
P2	1.9422		2.5202	2.5202	2.5202	1.4157	1.4157	1.4157
H3	1.2092	2.5202		2.0344	2.0344	3.7790	3.1449	3.1449
H4	1.2092	2.5202	2.0344		2.0344	3.1449	3.1449	3.7790
H5	1.2092	2.5202	2.0344	2.0344		3.1449	3.7790	3.1449
H6	2.8962	1.4157	3.7790	3.1449	3.1449		2.1581	2.1581
H7	2.8962	1.4157	3.1449	3.1449	3.7790	2.1581		2.1581
H8	2.8962	1.4157	3.1449	3.7790	3.1449	2.1581	2.1581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.347	B1	P2	H7	118.347
B1	P2	H8	118.347	P2	B1	H3	103.759
P2	B1	H4	103.759	P2	B1	H5	103.759
H3	B1	H4	114.529	H3	B1	H5	114.529
H4	B1	H5	114.529	H6	P2	H7	99.313
H6	P2	H8	99.313	H7	P2	H8	99.313

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

using model chemistry: BLYP/Def2TZVPP

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	-0.297
2	P	0.108
3	H	0.010
4	H	0.010
5	H	0.010
6	H	0.053
7	H	0.053
8	H	0.053

	x	y	z	Total
	0.000	0.000	3.857	3.857
CHELPG
AIM
ESP

<r²>	51.508
(<r²>)^1/2	7.177

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

using model chemistry: BLYP/Def2TZVPP

States and conformations

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