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	hartrees
Energy at 0K	-368.880529
Energy at 298.15K	-368.887055
HF Energy	-368.880529
Nuclear repulsion energy	57.992605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2600	2371	28.93
2	A₁	2511	2290	73.69
3	A₁	1190	1085	78.40
4	A₁	1091	995	231.36
5	A₁	436	398	4.37
6	A₂	217	198	0.00
7	E	2612	2382	84.00
7	E	2612	2382	84.00
8	E	2572	2346	145.83
8	E	2572	2346	145.83
9	E	1242	1132	14.72
9	E	1242	1132	14.72
10	E	1217	1110	3.63
10	E	1217	1110	3.63
11	E	896	817	1.96
11	E	896	817	1.96
12	E	395	360	1.62
12	E	395	360	1.62

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	-1.023	0.591	-1.715
H5	1.023	0.591	-1.715
H6	0.000	1.252	1.221
H7	-1.084	-0.626	1.221
H8	1.084	-0.626	1.221

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0178	1.2134	1.2134	1.2134	2.9395	2.9395	2.9395
P2	2.0178		2.5802	2.5802	2.5802	1.4067	1.4067	1.4067
H3	1.2134	2.5802		2.0466	2.0466	3.8130	3.1783	3.1783
H4	1.2134	2.5802	2.0466		2.0466	3.1783	3.1783	3.8130
H5	1.2134	2.5802	2.0466	2.0466		3.1783	3.8130	3.1783
H6	2.9395	1.4067	3.8130	3.1783	3.1783		2.1680	2.1680
H7	2.9395	1.4067	3.1783	3.1783	3.8130	2.1680		2.1680
H8	2.9395	1.4067	3.1783	3.8130	3.1783	2.1680	2.1680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.151	B1	P2	H7	117.151
B1	P2	H8	117.151	P2	B1	H3	103.146
P2	B1	H4	103.146	P2	B1	H5	103.146
H3	B1	H4	114.987	H3	B1	H5	114.987
H4	B1	H5	114.987	H6	P2	H7	100.814
H6	P2	H8	100.814	H7	P2	H8	100.814

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

using model chemistry: HF/daug-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	-0.765
2	P	-0.491
3	H	0.164
4	H	0.164
5	H	0.164
6	H	0.254
7	H	0.254
8	H	0.254

	x	y	z	Total
	0.000	0.000	4.419	4.419
CHELPG
AIM
ESP

<r²>	53.287
(<r²>)^1/2	7.300

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

using model chemistry: HF/daug-cc-pVDZ

States and conformations

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