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	hartrees
Energy at 0K	-50.665834
Energy at 298.15K	-50.665964
HF Energy	-50.439427
Nuclear repulsion energy	15.437504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2867	2867
2	Σ_g	1286	1286
3	Σ_u	2805	2805
4	Π_g	616	616
4	Π_g	616	616
5	Π_u	651	651
5	Π_u	651	651

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.752
B2	0.000	0.000	-0.752
H3	0.000	0.000	1.921
H4	0.000	0.000	-1.921

	B1	B2	H3	H4
B1		1.5040	1.1692	2.6732
B2	1.5040		2.6732	1.1692
H3	1.1692	2.6732		3.8423
H4	2.6732	1.1692	3.8423

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

using model chemistry: QCISD(T)=FULL/daug-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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