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	hartrees
Energy at 0K	-368.906002
Energy at 298.15K	-368.912578
HF Energy	-368.906002
Nuclear repulsion energy	58.445326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2607	2373	26.74
2	A₁	2516	2290	76.31
3	A₁	1202	1094	60.37
4	A₁	1108	1009	251.28
5	A₁	448	407	2.37
6	A₂	224	203	0.00
7	E	2615	2380	76.47
7	E	2615	2380	76.47
8	E	2570	2339	145.31
8	E	2570	2339	145.31
9	E	1253	1140	13.63
9	E	1253	1140	13.63
10	E	1227	1116	5.83
10	E	1227	1116	5.83
11	E	905	824	2.26
11	E	905	824	2.26
12	E	407	371	2.13
12	E	407	371	2.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.426
P2	0.000	0.000	0.574
H3	0.000	-1.173	-1.705
H4	-1.016	0.586	-1.705
H5	1.016	0.586	-1.705
H6	0.000	1.243	1.211
H7	-1.076	-0.621	1.211
H8	1.076	-0.621	1.211

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9996	1.2056	1.2056	1.2056	2.9147	2.9147	2.9147
P2	1.9996		2.5630	2.5630	2.5630	1.3963	1.3963	1.3963
H3	1.2056	2.5630		2.0312	2.0312	3.7863	3.1567	3.1567
H4	1.2056	2.5630	2.0312		2.0312	3.1567	3.1567	3.7863
H5	1.2056	2.5630	2.0312	2.0312		3.1567	3.7863	3.1567
H6	2.9147	1.3963	3.7863	3.1567	3.1567		2.1522	2.1522
H7	2.9147	1.3963	3.1567	3.1567	3.7863	2.1522		2.1522
H8	2.9147	1.3963	3.1567	3.7863	3.1567	2.1522	2.1522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.139	B1	P2	H7	117.139
B1	P2	H8	117.139	P2	B1	H3	103.400
P2	B1	H4	103.400	P2	B1	H5	103.400
H3	B1	H4	114.799	H3	B1	H5	114.799
H4	B1	H5	114.799	H6	P2	H7	100.830
H6	P2	H8	100.830	H7	P2	H8	100.830

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

using model chemistry: HF/cc-pVTZ

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	-0.381
2	P	0.220
3	H	-0.006
4	H	-0.006
5	H	-0.006
6	H	0.060
7	H	0.060
8	H	0.060

<r²>	52.662
(<r²>)^1/2	7.257

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

using model chemistry: HF/cc-pVTZ

States and conformations

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