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	hartrees
Energy at 0K	-51.684866
Energy at 298.15K	-51.687527
HF Energy	-51.565367
Nuclear repulsion energy	24.249349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2881	2781	0.61
2	A₁	1980	1911	48.03
3	A₁	1316	1271	3.88
4	A₁	1134	1095	5.91
5	A₁	735	709	7.98
6	A₂	1197	1156	0.00
7	A₂	488	471	0.00
8	B₁	1989	1920	109.90
9	B₁	813	785	0.28
10	B₂	2835	2736	43.00
11	B₂	1237	1194	206.29
12	B₂	416	401	112.03

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.750	-0.112
B2	0.000	-0.750	-0.112
H3	0.941	0.000	0.596
H4	-0.941	0.000	0.596
H5	0.000	1.923	-0.035
H6	0.000	-1.923	-0.035

	B1	B2	H3	H4	H5	H6
B1		1.4999	1.3963	1.3963	1.1751	2.6736
B2	1.4999		1.3963	1.3963	2.6736	1.1751
H3	1.3963	1.3963		1.8826	2.2317	2.2317
H4	1.3963	1.3963	1.8826		2.2317	2.2317
H5	1.1751	2.6736	2.2317	2.2317		3.8451
H6	2.6736	1.1751	2.2317	2.2317	3.8451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.515	B1	B2	H4	57.515
B1	B2	H6	176.249	B1	H3	B2	64.971
B1	H4	B2	64.971	B2	B1	H3	57.515
B2	B1	H4	57.515	B2	B1	H5	176.249
H3	B1	H4	84.771	H3	B1	H5	120.183
H3	B2	H4	84.771	H3	B2	H6	120.183
H4	B1	H5	120.183	H4	B2	H6	120.183

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

using model chemistry: MP2/SDD

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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