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	hartrees
Energy at 0K	-52.010140
Energy at 298.15K	-52.012949
HF Energy	-52.010140
Nuclear repulsion energy	24.595055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2761	2761	0.04
2	A₁	2038	2038	27.20
3	A₁	1327	1327	3.10
4	A₁	1144	1144	5.16
5	A₁	711	711	2.97
6	A₂	1178	1178	0.00
7	A₂	610	610	0.00
8	B₁	2036	2036	62.80
9	B₁	776	776	2.08
10	B₂	2720	2720	48.75
11	B₂	1263	1263	186.32
12	B₂	509	509	39.28

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.737	-0.121
B2	0.000	-0.737	-0.121
H3	0.903	0.000	0.592
H4	-0.903	0.000	0.592
H5	0.000	1.910	0.015
H6	0.000	-1.910	0.015

	B1	B2	H3	H4	H5	H6
B1		1.4741	1.3666	1.3666	1.1808	2.6505
B2	1.4741		1.3666	1.3666	2.6505	1.1808
H3	1.3666	1.3666		1.8058	2.1902	2.1902
H4	1.3666	1.3666	1.8058		2.1902	2.1902
H5	1.1808	2.6505	2.1902	2.1902		3.8200
H6	2.6505	1.1808	2.1902	2.1902	3.8200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.364	B1	B2	H4	57.364
B1	B2	H6	173.392	B1	H3	B2	65.272
B1	H4	B2	65.272	B2	B1	H3	57.364
B2	B1	H4	57.364	B2	B1	H5	173.392
H3	B1	H4	82.704	H3	B1	H5	118.401
H3	B2	H4	82.704	H3	B2	H6	118.401
H4	B1	H5	118.401	H4	B2	H6	118.401

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

using model chemistry: B97D3/6-311G*

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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Number	Element	Mulliken
1	B	-0.211
2	B	-0.211
3	H	0.197
4	H	0.197
5	H	0.013
6	H	0.013

	x	y	z	Total
	0.000	0.000	0.963	0.963
CHELPG
AIM
ESP

<r²>	24.604
(<r²>)^1/2	4.960