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	hartrees
Energy at 0K	-50.657313
Energy at 298.15K	-50.657523
HF Energy	-50.439368
Nuclear repulsion energy	15.477733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2885	2744	0.00
2	Σ_g	1307	1243	0.00
3	Σ_u	2814	2676	27.84
4	Π_g	624	594	0.00
4	Π_g	624	594	0.00
5	Π_u	716	681	0.00
5	Π_u	716	681	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.750
B2	0.000	0.000	-0.750
H3	0.000	0.000	1.918
H4	0.000	0.000	-1.918

	B1	B2	H3	H4
B1		1.4991	1.1680	2.6671
B2	1.4991		2.6671	1.1680
H3	1.1680	2.6671		3.8350
H4	2.6671	1.1680	3.8350

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

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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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