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	hartrees
Energy at 0K	-368.909885
Energy at 298.15K
HF Energy	-368.909885
Nuclear repulsion energy	58.610896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2610	2610	28.17
2	A₁	2513	2513	69.73
3	A₁	1204	1204	52.83
4	A₁	1112	1112	248.66
5	A₁	457	457	1.41
6	A₂	228	228	0.00
7	E	2617	2617	68.17
7	E	2617	2617	68.17
8	E	2566	2566	155.87
8	E	2566	2566	155.87
9	E	1253	1253	14.90
9	E	1253	1253	14.90
10	E	1228	1228	4.40
10	E	1228	1228	4.40
11	E	906	906	2.68
11	E	906	906	2.68
12	E	409	409	2.06
12	E	409	409	2.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.418
P2	0.000	0.000	0.571
H3	0.000	-1.173	-1.700
H4	-1.016	0.586	-1.700
H5	1.016	0.586	-1.700
H6	0.000	1.241	1.207
H7	-1.074	-0.620	1.207
H8	1.074	-0.620	1.207

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9898	1.2060	1.2060	1.2060	2.9033	2.9033	2.9033
P2	1.9898		2.5564	2.5564	2.5564	1.3938	1.3938	1.3938
H3	1.2060	2.5564		2.0311	2.0311	3.7779	3.1477	3.1477
H4	1.2060	2.5564	2.0311		2.0311	3.1477	3.1477	3.7779
H5	1.2060	2.5564	2.0311	2.0311		3.1477	3.7779	3.1477
H6	2.9033	1.3938	3.7779	3.1477	3.1477		2.1489	2.1489
H7	2.9033	1.3938	3.1477	3.1477	3.7779	2.1489		2.1489
H8	2.9033	1.3938	3.1477	3.7779	3.1477	2.1489	2.1489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.106	B1	P2	H7	117.106
B1	P2	H8	117.106	P2	B1	H3	103.508
P2	B1	H4	103.508	P2	B1	H5	103.508
H3	B1	H4	114.719	H3	B1	H5	114.719
H4	B1	H5	114.719	H6	P2	H7	100.871
H6	P2	H8	100.871	H7	P2	H8	100.871

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

using model chemistry: HF/aug-cc-pCVTZ

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	0.694
2	P	0.085
3	H	-0.281
4	H	-0.281
5	H	-0.281
6	H	0.021
7	H	0.021
8	H	0.021

	x	y	z	Total
	0.000	0.000	4.417	4.417
CHELPG
AIM
ESP

<r²>	52.367
(<r²>)^1/2	7.237

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

using model chemistry: HF/aug-cc-pCVTZ

States and conformations

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