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	hartrees
Energy at 0K	-50.556849
Energy at 298.15K	-50.556903
HF Energy	-50.427031
Nuclear repulsion energy	15.192445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2849	2732	0.00
2	Σ_g	1261	1209	0.00
3	Σ_u	2807	2692	26.24
4	Π_g	564	541	0.00
4	Π_g	564	541	0.00
5	Π_u	631	605	0.00
5	Π_u	631	605	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.766
B2	0.000	0.000	-0.766
H3	0.000	0.000	1.950
H4	0.000	0.000	-1.950

	B1	B2	H3	H4
B1		1.5310	1.1846	2.7156
B2	1.5310		2.7156	1.1846
H3	1.1846	2.7156		3.9002
H4	2.7156	1.1846	3.9002

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

using model chemistry: MP2/aug-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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