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	hartrees
Energy at 0K	-51.357364
Energy at 298.15K
HF Energy	-51.357364
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3241	0.26
2	A₁	2358	2358	6.70
3	A₁	1552	1552	10.41
4	A₁	1416	1416	4.22
5	A₁	840	840	7.43
6	A₂	1216	1216	0.00
7	A₂	122i	122i	0.00
8	B₁	2381	2381	24.18
9	B₁	881	881	18.90
10	B₂	3185	3185	17.47
11	B₂	1284	1284	165.89
12	B₂	344	344	174.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.718	-0.115
B2	0.000	-0.718	-0.115
H3	0.904	0.000	0.629
H4	-0.904	0.000	0.629
H5	0.000	1.875	-0.055
H6	0.000	-1.875	-0.055

	B1	B2	H3	H4	H5	H6
B1		1.4361	1.3730	1.3730	1.1585	2.5937
B2	1.4361		1.3730	1.3730	2.5937	1.1585
H3	1.3730	1.3730		1.8077	2.1907	2.1907
H4	1.3730	1.3730	1.8077		2.1907	2.1907
H5	1.1585	2.5937	2.1907	2.1907		3.7499
H6	2.5937	1.1585	2.1907	2.1907	3.7499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	58.468	B1	B2	H4	58.468
B1	B2	H6	177.029	B1	H3	B2	63.064
B1	H4	B2	63.064	B2	B1	H3	58.468
B2	B1	H4	58.468	B2	B1	H5	177.029
H3	B1	H4	82.343	H3	B1	H5	119.618
H3	B2	H4	82.343	H3	B2	H6	119.618
H4	B1	H5	119.618	H4	B2	H6	119.618

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

using model chemistry: wB97X-D/STO-3G

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	-0.012
2	B	-0.012
3	H	0.021
4	H	0.021
5	H	-0.009
6	H	-0.009

	x	y	z	Total
	0.000	0.000	1.130	1.130
CHELPG
AIM
ESP

<r²>	23.134
(<r²>)^1/2	4.810