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	hartrees
Energy at 0K	-51.833263
Energy at 298.15K	-51.836232
HF Energy	-51.613606
Nuclear repulsion energy	24.892003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2909	2748	0.31
2	A₁	2188	2066	9.15
3	A₁	1379	1302	1.42
4	A₁	1151	1088	0.62
5	A₁	755	713	0.79
6	A₂	1393	1316	0.00
7	A₂	711	672	0.00
8	B₁	2192	2070	41.87
9	B₁	823	778	3.01
10	B₂	2869	2710	21.48
11	B₂	1441	1361	211.40
12	B₂	570	538	26.42

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.732	-0.116
B2	0.000	-0.732	-0.116
H3	0.893	0.000	0.564
H4	-0.893	0.000	0.564
H5	0.000	1.894	0.014
H6	0.000	-1.894	0.014

	B1	B2	H3	H4	H5	H6
B1		1.4634	1.3393	1.3393	1.1700	2.6294
B2	1.4634		1.3393	1.3393	2.6294	1.1700
H3	1.3393	1.3393		1.7850	2.1653	2.1653
H4	1.3393	1.3393	1.7850		2.1653	2.1653
H5	1.1700	2.6294	2.1653	2.1653		3.7890
H6	2.6294	1.1700	2.1653	2.1653	3.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.885	B1	B2	H4	56.885
B1	B2	H6	173.651	B1	H3	B2	66.230
B1	H4	B2	66.230	B2	B1	H3	56.885
B2	B1	H4	56.885	B2	B1	H5	173.651
H3	B1	H4	83.581	H3	B1	H5	119.134
H3	B2	H4	83.581	H3	B2	H6	119.134
H4	B1	H5	119.134	H4	B2	H6	119.134

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

using model chemistry: MP2/6-31G(2df,p)

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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