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	hartrees
Energy at 0K	-50.668718
Energy at 298.15K	-50.668800
HF Energy	-50.437448
Nuclear repulsion energy	15.376486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2829	2829
2	Σ_g	1255	1255
3	Σ_u	2791	2791
4	Π_g	596	596
4	Π_g	596	596
5	Π_u	625	625
5	Π_u	625	625

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	1.929
H4	0.000	0.000	-1.929

	B1	B2	H3	H4
B1		1.5100	1.1738	2.6838
B2	1.5100		2.6838	1.1738
H3	1.1738	2.6838		3.8576
H4	2.6838	1.1738	3.8576

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

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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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