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	hartrees
Energy at 0K	-50.596315
Energy at 298.15K	-50.595820
HF Energy	-50.425371
Nuclear repulsion energy	15.335004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2868	2868
2	Σ_g	1263	1263
3	Σ_u	2827	2827
4	Π_g	300	300
4	Π_g	300	300
5	Π_u	581	581
5	Π_u	581	581

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.758
B2	0.000	0.000	-0.758
H3	0.000	0.000	1.932
H4	0.000	0.000	-1.932

	B1	B2	H3	H4
B1		1.5165	1.1736	2.6900
B2	1.5165		2.6900	1.1736
H3	1.1736	2.6900		3.8636
H4	2.6900	1.1736	3.8636

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

using model chemistry: QCISD(TQ)=FULL/6-31+G**

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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