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	hartrees
Energy at 0K	-51.681766
Energy at 298.15K	-51.684633
HF Energy	-51.681766
Nuclear repulsion energy	24.759238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2789	2737	0.05
2	A₁	2119	2079	9.92
3	A₁	1358	1332	1.88
4	A₁	1079	1059	0.00
5	A₁	696	683	1.53
6	A₂	1302	1278	0.00
7	A₂	688	676	0.00
8	B₁	2135	2095	37.27
9	B₁	769	754	1.80
10	B₂	2750	2698	16.23
11	B₂	1334	1309	141.24
12	B₂	537	527	21.77

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.732	-0.120
B2	0.000	-0.732	-0.120
H3	0.900	0.000	0.565
H4	-0.900	0.000	0.565
H5	0.000	1.907	0.036
H6	0.000	-1.907	0.036

	B1	B2	H3	H4	H5	H6
B1		1.4644	1.3476	1.3476	1.1855	2.6441
B2	1.4644		1.3476	1.3476	2.6441	1.1855
H3	1.3476	1.3476		1.8006	2.1743	2.1743
H4	1.3476	1.3476	1.8006		2.1743	2.1743
H5	1.1855	2.6441	2.1743	2.1743		3.8146
H6	2.6441	1.1855	2.1743	2.1743	3.8146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.089	B1	B2	H4	57.089
B1	B2	H6	172.408	B1	H3	B2	65.821
B1	H4	B2	65.821	B2	B1	H3	57.089
B2	B1	H4	57.089	B2	B1	H5	172.408
H3	B1	H4	83.839	H3	B1	H5	118.125
H3	B2	H4	83.839	H3	B2	H6	118.125
H4	B1	H5	118.125	H4	B2	H6	118.125

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

using model chemistry: LSDA/6-31G**

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	-0.146
2	B	-0.146
3	H	0.098
4	H	0.098
5	H	0.048
6	H	0.048

	x	y	z	Total
	0.000	0.000	1.175	1.175
CHELPG
AIM
ESP

<r²>	24.066
(<r²>)^1/2	4.906