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	hartrees
Energy at 0K	-12.421162
Energy at 298.15K	-12.427256
HF Energy	-12.421162
Nuclear repulsion energy	20.455118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2524	2276	73.13
2	A₁	2480	2235	75.86
3	A₁	1161	1046	152.36
4	A₁	1041	939	192.17
5	A₁	279	251	52.32
6	A₂	151	136	0.00
7	E	2633	2373	316.81
7	E	2633	2373	316.81
8	E	2518	2270	64.20
8	E	2518	2270	64.20
9	E	1217	1097	27.48
9	E	1217	1097	27.48
10	E	1208	1089	1.55
10	E	1208	1089	1.55
11	E	872	786	0.14
11	E	872	786	0.14
12	E	345	311	0.30
12	E	345	311	0.30

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.569
P2	0.000	0.000	0.626
H3	0.000	-1.187	-1.804
H4	-1.028	0.593	-1.804
H5	1.028	0.593	-1.804
H6	0.000	1.258	1.288
H7	-1.089	-0.629	1.288
H8	1.089	-0.629	1.288

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.1956	1.2097	1.2097	1.2097	3.1224	3.1224	3.1224
P2	2.1956		2.7042	2.7042	2.7042	1.4215	1.4215	1.4215
H3	1.2097	2.7042		2.0556	2.0556	3.9417	3.3254	3.3254
H4	1.2097	2.7042	2.0556		2.0556	3.3254	3.3254	3.9417
H5	1.2097	2.7042	2.0556	2.0556		3.3254	3.9417	3.3254
H6	3.1224	1.4215	3.9417	3.3254	3.3254		2.1787	2.1787
H7	3.1224	1.4215	3.3254	3.3254	3.9417	2.1787		2.1787
H8	3.1224	1.4215	3.3254	3.9417	3.3254	2.1787	2.1787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.764	B1	P2	H7	117.764
B1	P2	H8	117.764	P2	B1	H3	101.162
P2	B1	H4	101.162	P2	B1	H5	101.162
H3	B1	H4	116.346	H3	B1	H5	116.346
H4	B1	H5	116.346	H6	P2	H7	100.050
H6	P2	H8	100.050	H7	P2	H8	100.050

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

using model chemistry: HF/CEP-31G

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	-0.225
2	P	0.221
3	H	0.016
4	H	0.016
5	H	0.016
6	H	-0.014
7	H	-0.014
8	H	-0.014

<r²>	48.061
(<r²>)^1/2	6.933

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

using model chemistry: HF/CEP-31G

States and conformations

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