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	hartrees
Energy at 0K	-50.790194
Energy at 298.15K	-50.790241
HF Energy	-50.790194
Nuclear repulsion energy	15.415062

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	1263	1263	0.00
3	Σ_u	2791	2791	26.40
4	Π_g	583	583	0.00
4	Π_g	583	583	0.00
5	Π_u	610	610	0.10
5	Π_u	610	610	0.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.753
B2	0.000	0.000	-0.753
H3	0.000	0.000	1.924
H4	0.000	0.000	-1.924

	B1	B2	H3	H4
B1		1.5063	1.1711	2.6775
B2	1.5063		2.6775	1.1711
H3	1.1711	2.6775		3.8486
H4	2.6775	1.1711	3.8486

Number	Element	Mulliken
1	B	-0.106
2	B	-0.106
3	H	0.106
4	H	0.106

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

using model chemistry: B3LYPultrafine/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>	21.574
(<r²>)^1/2	4.645