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	hartrees
Energy at 0K	-50.586830
Energy at 298.15K	-50.586839
HF Energy	-50.426882
Nuclear repulsion energy	15.158292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2805	2703	0.00
2	Σ_g	1253	1207	0.00
3	Σ_u	2764	2662	30.73
4	Π_g	539	519	0.00
4	Π_g	539	519	0.00
5	Π_u	622	599	0.03
5	Π_u	622	599	0.03

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.767
B2	0.000	0.000	-0.767
H3	0.000	0.000	1.955
H4	0.000	0.000	-1.955

	B1	B2	H3	H4
B1		1.5338	1.1882	2.7220
B2	1.5338		2.7220	1.1882
H3	1.1882	2.7220		3.9103
H4	2.7220	1.1882	3.9103

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

using model chemistry: CCSD/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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