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	hartrees
Energy at 0K	-50.236727
Energy at 298.15K	-50.236421
HF Energy	-50.135676
Nuclear repulsion energy	15.195458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2812	2703	0.00
2	Σ_g	1254	1205	0.00
3	Σ_u	2764	2656	34.54
4	Π_g	381	366	0.00
4	Π_g	381	366	0.00
5	Π_u	593	570	2.28
5	Π_u	593	570	2.28

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.765
B2	0.000	0.000	-0.765
H3	0.000	0.000	1.950
H4	0.000	0.000	-1.950

	B1	B2	H3	H4
B1		1.5304	1.1848	2.7152
B2	1.5304		2.7152	1.1848
H3	1.1848	2.7152		3.9000
H4	2.7152	1.1848	3.9000

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

using model chemistry: QCISD/3-21G*

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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