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	hartrees
Energy at 0K	-51.816588
Energy at 298.15K	-51.819343
HF Energy	-51.601694
Nuclear repulsion energy	24.802888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2866	2756
2	A₁	2182	2098
3	A₁	1382	1329
4	A₁	1171	1126
5	A₁	713	685
6	A₂	1374	1321
7	A₂	580	557
8	B₁	2185	2101
9	B₁	792	762
10	B₂	2827	2718
11	B₂	1422	1368
12	B₂	433	416

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.732	-0.117
B2	0.000	-0.732	-0.117
H3	0.907	0.000	0.552
H4	-0.907	0.000	0.552
H5	0.000	1.903	0.033
H6	0.000	-1.903	0.033

	B1	B2	H3	H4	H5	H6
B1		1.4646	1.3439	1.3439	1.1802	2.6394
B2	1.4646		1.3439	1.3439	2.6394	1.1802
H3	1.3439	1.3439		1.8144	2.1709	2.1709
H4	1.3439	1.3439	1.8144		2.1709	2.1709
H5	1.1802	2.6394	2.1709	2.1709		3.8057
H6	2.6394	1.1802	2.1709	2.1709	3.8057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.983	B1	B2	H4	56.983
B1	B2	H6	172.693	B1	H3	B2	66.034
B1	H4	B2	66.034	B2	B1	H3	56.983
B2	B1	H4	56.983	B2	B1	H5	172.693
H3	B1	H4	84.916	H3	B1	H5	118.502
H3	B2	H4	84.916	H3	B2	H6	118.502
H4	B1	H5	118.502	H4	B2	H6	118.502

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

using model chemistry: MP4=FULL/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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