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	hartrees
Energy at 0K	-50.610573
Energy at 298.15K	-50.610820
HF Energy	-50.426871
Nuclear repulsion energy	15.452529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2908	2908	0.00
2	Σ_g	1289	1289	0.00
3	Σ_u	2866	2866	11.40
4	Π_g	696	696	0.00
4	Π_g	696	696	0.00
5	Π_u	686	686	1.34
5	Π_u	686	686	1.34

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.751
B2	0.000	0.000	-0.751
H3	0.000	0.000	1.920
H4	0.000	0.000	-1.920

	B1	B2	H3	H4
B1		1.5021	1.1690	2.6712
B2	1.5021		2.6712	1.1690
H3	1.1690	2.6712		3.8402
H4	2.6712	1.1690	3.8402

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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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