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	hartrees
Energy at 0K	-52.027099
Energy at 298.15K	-52.029993
HF Energy	-52.027099
Nuclear repulsion energy	24.786501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2828	2705	0.03
2	A₁	2074	1984	27.02
3	A₁	1363	1304	3.11
4	A₁	1124	1075	4.23
5	A₁	737	705	6.04
6	A₂	1254	1200	0.00
7	A₂	630	603	0.00
8	B₁	2088	1997	60.49
9	B₁	779	745	1.06
10	B₂	2786	2665	37.39
11	B₂	1337	1279	205.98
12	B₂	568	543	46.21

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.727	-0.112
B2	0.000	-0.727	-0.112
H3	0.901	0.000	0.568
H4	-0.901	0.000	0.568
H5	0.000	1.897	-0.009
H6	0.000	-1.897	-0.009

	B1	B2	H3	H4	H5	H6
B1		1.4549	1.3428	1.3428	1.1742	2.6266
B2	1.4549		1.3428	1.3428	2.6266	1.1742
H3	1.3428	1.3428		1.8011	2.1781	2.1781
H4	1.3428	1.3428	1.8011		2.1781	2.1781
H5	1.1742	2.6266	2.1781	2.1781		3.7943
H6	2.6266	1.1742	2.1781	2.1781	3.7943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.196	B1	B2	H4	57.196
B1	B2	H6	174.992	B1	H3	B2	65.608
B1	H4	B2	65.608	B2	B1	H3	57.196
B2	B1	H4	57.196	B2	B1	H5	174.992
H3	B1	H4	84.236	H3	B1	H5	119.701
H3	B2	H4	84.236	H3	B2	H6	119.701
H4	B1	H5	119.701	H4	B2	H6	119.701

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

using model chemistry: wB97X-D/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	-0.123
2	B	-0.123
3	H	0.105
4	H	0.105
5	H	0.018
6	H	0.018

	x	y	z	Total
	0.000	0.000	1.007	1.007
CHELPG
AIM
ESP

<r²>	24.307
(<r²>)^1/2	4.930