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	hartrees
Energy at 0K	-50.625035
Energy at 298.15K	-50.625092
HF Energy	-50.439309
Nuclear repulsion energy	15.368533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2830	2830	0.00
2	Σ_g	1269	1269	0.00
3	Σ_u	2789	2789	28.48
4	Π_g	578	578	0.00
4	Π_g	578	578	0.00
5	Π_u	626	626	0.00
5	Π_u	626	626	0.00

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	1.930
H4	0.000	0.000	-1.930

	B1	B2	H3	H4
B1		1.5108	1.1748	2.6856
B2	1.5108		2.6856	1.1748
H3	1.1748	2.6856		3.8604
H4	2.6856	1.1748	3.8604

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

using model chemistry: QCISD/daug-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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