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	hartrees
Energy at 0K	-50.577316
Energy at 298.15K	-50.577027
HF Energy	-50.422362
Nuclear repulsion energy	15.376536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2882	2687	0.00
2	Σ_g	1292	1205	0.00
3	Σ_u	2841	2649	34.22
4	Π_g	379	353	0.00
4	Π_g	379	353	0.00
5	Π_u	608	567	2.44
5	Π_u	608	567	2.44

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.755
B2	0.000	0.000	-0.755
H3	0.000	0.000	1.928
H4	0.000	0.000	-1.928

	B1	B2	H3	H4
B1		1.5109	1.1729	2.6838
B2	1.5109		2.6838	1.1729
H3	1.1729	2.6838		3.8568
H4	2.6838	1.1729	3.8568

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

using model chemistry: CCSD/6-31G**

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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