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	hartrees
Energy at 0K	-50.753037
Energy at 298.15K	-50.753041
HF Energy	-50.753037
Nuclear repulsion energy	15.306262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2768	2731	0.00
2	Σ_g	1231	1215	0.00
3	Σ_u	2729	2691	35.51
4	Π_g	566	558	0.00
4	Π_g	566	558	0.00
5	Π_u	594	586	0.17
5	Π_u	594	586	0.17

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	1.938
H4	0.000	0.000	-1.938

	B1	B2	H3	H4
B1		1.5166	1.1800	2.6967
B2	1.5166		2.6967	1.1800
H3	1.1800	2.6967		3.8767
H4	2.6967	1.1800	3.8767

Number	Element	Mulliken
1	B	-0.069
2	B	-0.069
3	H	0.069
4	H	0.069

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

using model chemistry: B97D3/Def2TZVPP

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>	21.653
(<r²>)^1/2	4.653