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	hartrees
Energy at 0K	-369.788551
Energy at 298.15K	-369.795001
HF Energy	-369.788551
Nuclear repulsion energy	58.770248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2398	2398	69.55
2	A₁	2367	2367	42.25
3	A₁	1079	1079	0.58
4	A₁	1011	1011	227.60
5	A₁	504	504	1.33
6	A₂	235	235	0.00
7	E	2450	2450	158.24
7	E	2450	2450	158.27
8	E	2404	2404	7.50
8	E	2404	2404	7.51
9	E	1133	1133	10.69
9	E	1133	1133	10.69
10	E	1108	1108	0.02
10	E	1108	1108	0.02
11	E	831	831	2.68
11	E	831	831	2.68
12	E	380	380	0.41
12	E	380	380	0.42

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.394
P2	0.000	0.000	0.555
H3	0.000	-1.182	-1.681
H4	-1.023	0.591	-1.681
H5	1.023	0.591	-1.681
H6	0.000	1.247	1.229
H7	-1.080	-0.624	1.229
H8	1.080	-0.624	1.229

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9490	1.2160	1.2160	1.2160	2.9046	2.9046	2.9046
P2	1.9490		2.5292	2.5292	2.5292	1.4178	1.4178	1.4178
H3	1.2160	2.5292		2.0467	2.0467	3.7908	3.1541	3.1541
H4	1.2160	2.5292	2.0467		2.0467	3.1541	3.1541	3.7908
H5	1.2160	2.5292	2.0467	2.0467		3.1541	3.7908	3.1541
H6	2.9046	1.4178	3.7908	3.1541	3.1541		2.1603	2.1603
H7	2.9046	1.4178	3.1541	3.1541	3.7908	2.1603		2.1603
H8	2.9046	1.4178	3.1541	3.7908	3.1541	2.1603	2.1603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.390	B1	P2	H7	118.390
B1	P2	H8	118.390	P2	B1	H3	103.662
P2	B1	H4	103.662	P2	B1	H5	103.662
H3	B1	H4	114.602	H3	B1	H5	114.602
H4	B1	H5	114.602	H6	P2	H7	99.258
H6	P2	H8	99.258	H7	P2	H8	99.258

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

using model chemistry: B97D3/6-311G*

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	-0.500
2	P	0.108
3	H	0.035
4	H	0.035
5	H	0.035
6	H	0.096
7	H	0.096
8	H	0.096

	x	y	z	Total
	0.000	0.000	4.109	4.109
CHELPG
AIM
ESP

<r²>	51.789
(<r²>)^1/2	7.196

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

using model chemistry: B97D3/6-311G*

States and conformations

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