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	hartrees
Energy at 0K	-50.747338
Energy at 298.15K	-50.747250
HF Energy	-50.747338
Nuclear repulsion energy	15.299401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2835	2835	0.00
2	Σ_g	1256	1256	0.00
3	Σ_u	2795	2795	26.61
4	Π_g	534	534	0.00
4	Π_g	534	534	0.00
5	Π_u	548	548	0.55
5	Π_u	548	548	0.55

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	1.939
H4	0.000	0.000	-1.939

	B1	B2	H3	H4
B1		1.5175	1.1803	2.6978
B2	1.5175		2.6978	1.1803
H3	1.1803	2.6978		3.8781
H4	2.6978	1.1803	3.8781

Number	Element	Mulliken
1	B	-0.557
2	B	-0.557
3	H	0.557
4	H	0.557

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

using model chemistry: M06-2X/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>	21.781
(<r²>)^1/2	4.667