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	hartrees
Energy at 0K	-50.582094
Energy at 298.15K	-50.582033
HF Energy	-50.430308
Nuclear repulsion energy	15.311423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2803	2673	0.00
2	Σ_g	1261	1202	0.00
3	Σ_u	2760	2632	21.85
4	Π_g	496	473	0.00
4	Π_g	496	473	0.00
5	Π_u	624	595	0.02
5	Π_u	624	595	0.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.758
B2	0.000	0.000	-0.758
H3	0.000	0.000	1.939
H4	0.000	0.000	-1.939

	B1	B2	H3	H4
B1		1.5150	1.1812	2.6962
B2	1.5150		2.6962	1.1812
H3	1.1812	2.6962		3.8774
H4	2.6962	1.1812	3.8774

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

using model chemistry: CCSD/6-311G*

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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