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	hartrees
Energy at 0K	-50.647708
Energy at 298.15K	-50.647746
HF Energy	-50.439048
Nuclear repulsion energy	15.448220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2846	2699	0.00
2	Σ_g	1289	1222	0.00
3	Σ_u	2783	2639	27.97
4	Π_g	564	535	0.00
4	Π_g	564	535	0.00
5	Π_u	616	584	0.19
5	Π_u	616	584	0.19

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.751
B2	0.000	0.000	-0.751
H3	0.000	0.000	1.921
H4	0.000	0.000	-1.921

	B1	B2	H3	H4
B1		1.5027	1.1692	2.6719
B2	1.5027		2.6719	1.1692
H3	1.1692	2.6719		3.8410
H4	2.6719	1.1692	3.8410

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

using model chemistry: CCSD=FULL/cc-pVTZ

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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