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	hartrees
Energy at 0K	-53.061877
Energy at 298.15K	-53.067832
HF Energy	-52.817855
Nuclear repulsion energy	31.844261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2653	2653	0.00
2	A_g	2200	2200	0.00
3	A_g	1225	1225	0.00
4	A_g	819	819	0.00
5	A_u	853	853	0.00
6	B_1g	2730	2730	0.00
7	B_1g	947	947	0.00
8	B_1u	2013	2013	18.43
9	B_1u	1010	1010	26.80
10	B_2g	1903	1903	0.00
11	B_2g	894	894	0.00
12	B_2u	2745	2745	190.11
13	B_2u	1001	1001	2.59
14	B_2u	381	381	15.26
15	B_3g	1090	1090	0.00
16	B_3u	2636	2636	156.31
17	B_3u	1766	1766	584.27
18	B_3u	1209	1209	93.29

Atom	x (Å)	y (Å)	z (Å)
B1	0.892	0.000	0.000
B2	-0.892	0.000	0.000
H3	0.000	0.000	0.979
H4	0.000	0.000	-0.979
H5	1.468	1.048	0.000
H6	1.468	-1.048	0.000
H7	-1.468	1.048	0.000
H8	-1.468	-1.048	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7834	1.3244	1.3244	1.1965	1.1965	2.5824	2.5824
B2	1.7834		1.3244	1.3244	2.5824	2.5824	1.1965	1.1965
H3	1.3244	1.3244		1.9583	2.0528	2.0528	2.0528	2.0528
H4	1.3244	1.3244	1.9583		2.0528	2.0528	2.0528	2.0528
H5	1.1965	2.5824	2.0528	2.0528		2.0967	2.9368	3.6084
H6	1.1965	2.5824	2.0528	2.0528	2.0967		3.6084	2.9368
H7	2.5824	1.1965	2.0528	2.0528	2.9368	3.6084		2.0967
H8	2.5824	1.1965	2.0528	2.0528	3.6084	2.9368	2.0967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.646	B1	H4	B2	84.646
H3	B1	H4	95.354	H3	B1	H5	108.937
H3	B1	H6	108.937	H3	B2	H4	95.354
H3	B2	H7	108.937	H3	B2	H8	108.937
H4	B1	H5	108.937	H4	B1	H6	108.937
H4	B2	H7	108.937	H4	B2	H8	108.937
H5	B1	H6	122.370	H7	B2	H8	122.370

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CID/daug-cc-pVDZ

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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All results from a given calculation for B2H6 (Diborane)

using model chemistry: CID/daug-cc-pVDZ

States and conformations

All results from a given calculation for B₂H₆ (Diborane)