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	hartrees
Energy at 0K	-50.232762
Energy at 298.15K	-50.232521
HF Energy	-50.135863
Nuclear repulsion energy	15.227268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2837	2651	0.00
2	Σ_g	1268	1185	0.00
3	Σ_u	2787	2604	35.97
4	Π_g	407	380	0.00
4	Π_g	407	380	0.00
5	Π_u	604	564	2.55
5	Π_u	604	564	2.55

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.764
B2	0.000	0.000	-0.764
H3	0.000	0.000	1.946
H4	0.000	0.000	-1.946

	B1	B2	H3	H4
B1		1.5271	1.1824	2.7096
B2	1.5271		2.7096	1.1824
H3	1.1824	2.7096		3.8920
H4	2.7096	1.1824	3.8920

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

using model chemistry: CISD/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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