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	hartrees
Energy at 0K	-50.753543
Energy at 298.15K	-50.753588
HF Energy	-50.753543
Nuclear repulsion energy	15.278086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2827	2827	0.00
2	Σ_g	1268	1268	0.00
3	Σ_u	2781	2781	26.17
4	Π_g	578	578	0.00
4	Π_g	578	578	0.00
5	Π_u	605	605	0.03
5	Π_u	605	605	0.03

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.760
B2	0.000	0.000	-0.760
H3	0.000	0.000	1.942
H4	0.000	0.000	-1.942

	B1	B2	H3	H4
B1		1.5192	1.1825	2.7017
B2	1.5192		2.7017	1.1825
H3	1.1825	2.7017		3.8842
H4	2.7017	1.1825	3.8842

Number	Element	Mulliken
1	B	-0.311
2	B	-0.311
3	H	0.311
4	H	0.311

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

using model chemistry: mPW1PW91/daug-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>	21.754
(<r²>)^1/2	4.664