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	hartrees
Energy at 0K	-51.827570
Energy at 298.15K	-51.830452
HF Energy	-51.611130
Nuclear repulsion energy	24.779275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2862	2711	0.11
2	A₁	2156	2042	13.36
3	A₁	1368	1296	2.65
4	A₁	1168	1106	1.41
5	A₁	737	698	4.14
6	A₂	1353	1281	0.00
7	A₂	657	622	0.00
8	B₁	2165	2051	35.21
9	B₁	812	769	1.80
10	B₂	2820	2671	29.29
11	B₂	1390	1317	213.17
12	B₂	504	477	30.47

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.733	-0.116
B2	0.000	-0.733	-0.116
H3	0.904	0.000	0.568
H4	-0.904	0.000	0.568
H5	0.000	1.900	0.014
H6	0.000	-1.900	0.014

	B1	B2	H3	H4	H5	H6
B1		1.4662	1.3503	1.3503	1.1743	2.6364
B2	1.4662		1.3503	1.3503	2.6364	1.1743
H3	1.3503	1.3503		1.8085	2.1759	2.1759
H4	1.3503	1.3503	1.8085		2.1759	2.1759
H5	1.1743	2.6364	2.1759	2.1759		3.8001
H6	2.6364	1.1743	2.1759	2.1759	3.8001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.118	B1	B2	H4	57.118
B1	B2	H6	173.611	B1	H3	B2	65.763
B1	H4	B2	65.763	B2	B1	H3	57.118
B2	B1	H4	57.118	B2	B1	H5	173.611
H3	B1	H4	84.081	H3	B1	H5	118.891
H3	B2	H4	84.081	H3	B2	H6	118.891
H4	B1	H5	118.891	H4	B2	H6	118.891

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

using model chemistry: MP2=FULL/6-311G*

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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