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	hartrees
Energy at 0K	-369.760398
Energy at 298.15K	-369.766837
HF Energy	-369.760398
Nuclear repulsion energy	58.561416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2409	2399	28.45
2	A₁	2377	2368	66.73
3	A₁	1074	1069	4.34
4	A₁	1006	1002	223.83
5	A₁	487	485	0.70
6	A₂	236	235	0.00
7	E	2479	2469	124.70
7	E	2479	2469	124.69
8	E	2387	2378	18.13
8	E	2387	2378	18.13
9	E	1125	1120	8.17
9	E	1125	1120	8.17
10	E	1102	1098	2.66
10	E	1102	1098	2.66
11	E	823	820	3.01
11	E	823	820	3.01
12	E	380	379	0.56
12	E	380	379	0.56

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.404
P2	0.000	0.000	0.559
H3	0.000	-1.176	-1.688
H4	-1.019	0.588	-1.688
H5	1.019	0.588	-1.688
H6	0.000	1.251	1.235
H7	-1.083	-0.625	1.235
H8	1.083	-0.625	1.235

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9634	1.2101	1.2101	1.2101	2.9206	2.9206	2.9206
P2	1.9634		2.5366	2.5366	2.5366	1.4217	1.4217	1.4217
H3	1.2101	2.5366		2.0375	2.0375	3.7994	3.1657	3.1657
H4	1.2101	2.5366	2.0375		2.0375	3.1657	3.1657	3.7994
H5	1.2101	2.5366	2.0375	2.0375		3.1657	3.7994	3.1657
H6	2.9206	1.4217	3.7994	3.1657	3.1657		2.1665	2.1665
H7	2.9206	1.4217	3.1657	3.1657	3.7994	2.1665		2.1665
H8	2.9206	1.4217	3.1657	3.7994	3.1657	2.1665	2.1665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.379	B1	P2	H7	118.379
B1	P2	H8	118.379	P2	B1	H3	103.572
P2	B1	H4	103.572	P2	B1	H5	103.572
H3	B1	H4	114.671	H3	B1	H5	114.671
H4	B1	H5	114.671	H6	P2	H7	99.272
H6	P2	H8	99.272	H7	P2	H8	99.272

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

using model chemistry: BLYP/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	-0.278
2	P	0.325
3	H	-0.036
4	H	-0.036
5	H	-0.036
6	H	0.021
7	H	0.021
8	H	0.021

<r²>	52.257
(<r²>)^1/2	7.229

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

using model chemistry: BLYP/6-311G**

States and conformations

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