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	hartrees
Energy at 0K	-50.595651
Energy at 298.15K	-50.595643
HF Energy	-50.426770
Nuclear repulsion energy	15.136979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2800	2719
2	Σ_g	1238	1203
3	Σ_u	2757	2678
4	Π_g	531	515
4	Π_g	531	515
5	Π_u	618	600
5	Π_u	618	600

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.768
B2	0.000	0.000	-0.768
H3	0.000	0.000	1.957
H4	0.000	0.000	-1.957

	B1	B2	H3	H4
B1		1.5364	1.1888	2.7252
B2	1.5364		2.7252	1.1888
H3	1.1888	2.7252		3.9140
H4	2.7252	1.1888	3.9140

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

using model chemistry: CCSD(T)=FULL/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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