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	hartrees
Energy at 0K	-369.803673
Energy at 298.15K	-369.810127
HF Energy	-369.803673
Nuclear repulsion energy	58.495860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2451	2377	28.64
2	A₁	2439	2366	63.48
3	A₁	1087	1054	9.54
4	A₁	1011	981	212.35
5	A₁	504	489	0.34
6	A₂	235	228	0.00
7	E	2536	2460	131.37
7	E	2536	2460	131.36
8	E	2452	2379	14.67
8	E	2452	2379	14.68
9	E	1136	1102	6.54
9	E	1136	1102	6.54
10	E	1116	1083	2.98
10	E	1116	1083	2.98
11	E	829	805	3.03
11	E	829	805	3.03
12	E	375	364	0.14
12	E	375	364	0.14

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.405
P2	0.000	0.000	0.559
H3	0.000	-1.186	-1.684
H4	-1.027	0.593	-1.684
H5	1.027	0.593	-1.684
H6	0.000	1.253	1.233
H7	-1.085	-0.627	1.233
H8	1.085	-0.627	1.233

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9633	1.2183	1.2183	1.2183	2.9199	2.9199	2.9199
P2	1.9633		2.5370	2.5370	2.5370	1.4230	1.4230	1.4230
H3	1.2183	2.5370		2.0538	2.0538	3.8022	3.1621	3.1621
H4	1.2183	2.5370	2.0538		2.0538	3.1621	3.1621	3.8022
H5	1.2183	2.5370	2.0538	2.0538		3.1621	3.8022	3.1621
H6	2.9199	1.4230	3.8022	3.1621	3.1621		2.1707	2.1707
H7	2.9199	1.4230	3.1621	3.1621	3.8022	2.1707		2.1707
H8	2.9199	1.4230	3.1621	3.8022	3.1621	2.1707	2.1707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.271	B1	P2	H7	118.271
B1	P2	H8	118.271	P2	B1	H3	103.269
P2	B1	H4	103.269	P2	B1	H5	103.269
H3	B1	H4	114.896	H3	B1	H5	114.896
H4	B1	H5	114.896	H6	P2	H7	99.410
H6	P2	H8	99.410	H7	P2	H8	99.410

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.204
2	P	0.275
3	H	-0.054
4	H	-0.054
5	H	-0.054
6	H	0.030
7	H	0.030
8	H	0.030

<r²>	51.849
(<r²>)^1/2	7.201

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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