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	hartrees
Energy at 0K	-50.629107
Energy at 298.15K	-50.629222
HF Energy	-50.440082
Nuclear repulsion energy	15.432605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2879	2879	0.00
2	Σ_g	1276	1276	0.00
3	Σ_u	2837	2837	21.72
4	Π_g	615	615	0.00
4	Π_g	615	615	0.00
5	Π_u	636	636	0.08
5	Π_u	636	636	0.08

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	1.921
H4	0.000	0.000	-1.921

	B1	B2	H3	H4
B1		1.5060	1.1678	2.6738
B2	1.5060		2.6738	1.1678
H3	1.1678	2.6738		3.8416
H4	2.6738	1.1678	3.8416

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

using model chemistry: MP2=FULL/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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