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	hartrees
Energy at 0K	-50.775505
Energy at 298.15K	-50.775554
HF Energy	-50.775505
Nuclear repulsion energy	15.292265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2829	2745	0.00
2	Σ_g	1263	1226	0.00
3	Σ_u	2785	2703	25.25
4	Π_g	577	560	0.00
4	Π_g	577	560	0.00
5	Π_u	613	595	0.07
5	Π_u	613	595	0.07

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.759
B2	0.000	0.000	-0.759
H3	0.000	0.000	1.940
H4	0.000	0.000	-1.940

	B1	B2	H3	H4
B1		1.5185	1.1804	2.6989
B2	1.5185		2.6989	1.1804
H3	1.1804	2.6989		3.8793
H4	2.6989	1.1804	3.8793

Number	Element	Mulliken
1	B	-0.702
2	B	-0.702
3	H	0.702
4	H	0.702

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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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<r²>	21.840
(<r²>)^1/2	4.673