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	hartrees
Energy at 0K	-50.238443
Energy at 298.15K	-50.238126
HF Energy	-50.135697
Nuclear repulsion energy	15.197291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2833	2773
2	Σ_g	1250	1224
3	Σ_u	2785	2726
4	Π_g	372	364
4	Π_g	372	364
5	Π_u	595	582
5	Π_u	595	582

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.765
B2	0.000	0.000	-0.765
H3	0.000	0.000	1.949
H4	0.000	0.000	-1.949

	B1	B2	H3	H4
B1		1.5308	1.1833	2.7142
B2	1.5308		2.7142	1.1833
H3	1.1833	2.7142		3.8975
H4	2.7142	1.1833	3.8975

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

using model chemistry: MP4=FULL/3-21G

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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