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	hartrees
Energy at 0K	-50.654602
Energy at 298.15K	-50.654619
HF Energy	-50.439013
Nuclear repulsion energy	15.414194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2833	2711
2	Σ_g	1273	1218
3	Σ_u	2770	2651
4	Π_g	557	533
4	Π_g	557	533
5	Π_u	607	581
5	Π_u	607	581

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		1.5065	1.1705	2.6771
B2	1.5065		2.6771	1.1705
H3	1.1705	2.6771		3.8476
H4	2.6771	1.1705	3.8476

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

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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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