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	hartrees
Energy at 0K	-50.434043
Energy at 298.15K	-50.434256
HF Energy	-50.434043
Nuclear repulsion energy	15.485262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2917	2650	0.00
2	Σ_g	1327	1206	0.00
3	Σ_u	2878	2614	39.37
4	Π_g	655	595	0.00
4	Π_g	655	595	0.00
5	Π_u	685	622	0.00
5	Π_u	685	622	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.749
B2	0.000	0.000	-0.749
H3	0.000	0.000	1.917
H4	0.000	0.000	-1.917

	B1	B2	H3	H4
B1		1.4982	1.1676	2.6658
B2	1.4982		2.6658	1.1676
H3	1.1676	2.6658		3.8334
H4	2.6658	1.1676	3.8334

Number	Element	Mulliken
1	B	-0.253
2	B	-0.253
3	H	0.253
4	H	0.253

All results from a given calculation for HBBH (Diborane(2))

using model chemistry: ROHF/6-311+G(3df,2p)

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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<r²>	21.547
(<r²>)^1/2	4.642