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	hartrees
Energy at 0K	-50.729238
Energy at 298.15K	-50.729292
HF Energy	-50.729238
Nuclear repulsion energy	15.266582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2824	2714	0.00
2	Σ_g	1275	1225	0.00
3	Σ_u	2779	2671	28.73
4	Π_g	587	564	0.00
4	Π_g	587	564	0.00
5	Π_u	609	585	1.01
5	Π_u	609	585	1.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.760
B2	0.000	0.000	-0.760
H3	0.000	0.000	1.945
H4	0.000	0.000	-1.945

	B1	B2	H3	H4
B1		1.5193	1.1848	2.7042
B2	1.5193		2.7042	1.1848
H3	1.1848	2.7042		3.8890
H4	2.7042	1.1848	3.8890

Number	Element	Mulliken
1	B	-0.027
2	B	-0.027
3	H	0.027
4	H	0.027

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

using model chemistry: B1B95/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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<r²>	21.693
(<r²>)^1/2	4.658