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	hartrees
Energy at 0K	-50.690615
Energy at 298.15K	-50.690639
HF Energy	-50.648258
Nuclear repulsion energy	15.383586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2884	2735	0.00
2	Σ_g	1287	1220	0.00
3	Σ_u	2846	2700	31.36
4	Π_g	559	530	0.00
4	Π_g	559	530	0.00
5	Π_u	628	595	2.75
5	Π_u	628	595	2.75

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.754
B2	0.000	0.000	-0.754
H3	0.000	0.000	1.930
H4	0.000	0.000	-1.930

	B1	B2	H3	H4
B1		1.5080	1.1756	2.6835
B2	1.5080		2.6835	1.1756
H3	1.1756	2.6835		3.8591
H4	2.6835	1.1756	3.8591

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

using model chemistry: B2PLYP=FULL/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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