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	hartrees
Energy at 0K	-369.798481
Energy at 298.15K	-369.804927
HF Energy	-369.798481
Nuclear repulsion energy	58.746645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2409	2375	64.00
2	A₁	2380	2346	37.62
3	A₁	1073	1058	1.63
4	A₁	1006	991	222.91
5	A₁	498	491	1.11
6	A₂	237	233	0.00
7	E	2463	2428	150.83
7	E	2463	2428	150.85
8	E	2417	2382	4.85
8	E	2417	2382	4.85
9	E	1125	1109	9.80
9	E	1125	1109	9.81
10	E	1104	1089	1.07
10	E	1104	1089	1.07
11	E	824	812	2.40
11	E	824	812	2.40
12	E	378	372	0.39
12	E	378	372	0.39

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.397
P2	0.000	0.000	0.556
H3	0.000	-1.181	-1.680
H4	-1.022	0.590	-1.680
H5	1.022	0.590	-1.680
H6	0.000	1.249	1.227
H7	-1.082	-0.624	1.227
H8	1.082	-0.624	1.227

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9528	1.2141	1.2141	1.2141	2.9056	2.9056	2.9056
P2	1.9528		2.5285	2.5285	2.5285	1.4176	1.4176	1.4176
H3	1.2141	2.5285		2.0449	2.0449	3.7883	3.1509	3.1509
H4	1.2141	2.5285	2.0449		2.0449	3.1509	3.1509	3.7883
H5	1.2141	2.5285	2.0449	2.0449		3.1509	3.7883	3.1509
H6	2.9056	1.4176	3.7883	3.1509	3.1509		2.1631	2.1631
H7	2.9056	1.4176	3.1509	3.1509	3.7883	2.1631		2.1631
H8	2.9056	1.4176	3.1509	3.7883	3.1509	2.1631	2.1631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.238	B1	P2	H7	118.238
B1	P2	H8	118.238	P2	B1	H3	103.488
P2	B1	H4	103.488	P2	B1	H5	103.488
H3	B1	H4	114.733	H3	B1	H5	114.733
H4	B1	H5	114.733	H6	P2	H7	99.451
H6	P2	H8	99.451	H7	P2	H8	99.451

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	-0.318
2	P	0.302
3	H	-0.025
4	H	-0.025
5	H	-0.025
6	H	0.031
7	H	0.031
8	H	0.031

<r²>	51.770
(<r²>)^1/2	7.195

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)