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	hartrees
Energy at 0K	-51.808763
Energy at 298.15K	-51.811476
HF Energy	-51.601600
Nuclear repulsion energy	24.767253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2851	2851
2	A₁	2169	2169
3	A₁	1380	1380
4	A₁	1169	1169
5	A₁	708	708
6	A₂	1354	1354
7	A₂	551	551
8	B₁	2171	2171
9	B₁	786	786
10	B₂	2812	2812
11	B₂	1417	1417
12	B₂	413	413

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.734	-0.117
B2	0.000	-0.734	-0.117
H3	0.909	0.000	0.551
H4	-0.909	0.000	0.551
H5	0.000	1.905	0.036
H6	0.000	-1.905	0.036

	B1	B2	H3	H4	H5	H6
B1		1.4674	1.3455	1.3455	1.1813	2.6432
B2	1.4674		1.3455	1.3455	2.6432	1.1813
H3	1.3455	1.3455		1.8172	2.1725	2.1725
H4	1.3455	1.3455	1.8172		2.1725	2.1725
H5	1.1813	2.6432	2.1725	2.1725		3.8100
H6	2.6432	1.1813	2.1725	2.1725	3.8100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.955	B1	B2	H4	56.955
B1	B2	H6	172.540	B1	H3	B2	66.089
B1	H4	B2	66.089	B2	B1	H3	56.955
B2	B1	H4	56.955	B2	B1	H5	172.540
H3	B1	H4	84.947	H3	B1	H5	118.437
H3	B2	H4	84.947	H3	B2	H6	118.437
H4	B1	H5	118.437	H4	B2	H6	118.437

All results from a given calculation for HBHHBH (Diborane(4) C2V)

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

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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