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	hartrees
Energy at 0K	-53.033387
Energy at 298.15K	-53.039288
HF Energy	-52.812072
Nuclear repulsion energy	32.068653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2653	2552
2	A_g	2238	2153
3	A_g	1222	1176
4	A_g	831	799
5	A_u	858	826
6	B_1g	2734	2630
7	B_1g	954	918
8	B_1u	2071	1993
9	B_1u	997	959
10	B_2g	1926	1853
11	B_2g	880	847
12	B_2u	2745	2641
13	B_2u	991	953
14	B_2u	362	348
15	B_3g	1062	1022
16	B_3u	2638	2538
17	B_3u	1797	1729
18	B_3u	1214	1168

Atom	x (Å)	y (Å)	z (Å)
B1	0.879	0.000	0.000
B2	-0.879	0.000	0.000
H3	0.000	0.000	0.978
H4	0.000	0.000	-0.978
H5	1.462	1.043	0.000
H6	1.462	-1.043	0.000
H7	-1.462	1.043	0.000
H8	-1.462	-1.043	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7577	1.3149	1.3149	1.1950	1.1950	2.5624	2.5624
B2	1.7577		1.3149	1.3149	2.5624	2.5624	1.1950	1.1950
H3	1.3149	1.3149		1.9561	2.0448	2.0448	2.0448	2.0448
H4	1.3149	1.3149	1.9561		2.0448	2.0448	2.0448	2.0448
H5	1.1950	2.5624	2.0448	2.0448		2.0866	2.9230	3.5914
H6	1.1950	2.5624	2.0448	2.0448	2.0866		3.5914	2.9230
H7	2.5624	1.1950	2.0448	2.0448	2.9230	3.5914		2.0866
H8	2.5624	1.1950	2.0448	2.0448	3.5914	2.9230	2.0866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	83.884	B1	H4	B2	83.884
H3	B1	H4	96.116	H3	B1	H5	109.020
H3	B1	H6	109.020	H3	B2	H4	96.116
H3	B2	H7	109.020	H3	B2	H8	109.020
H4	B1	H5	109.020	H4	B1	H6	109.020
H4	B2	H7	109.020	H4	B2	H8	109.020
H5	B1	H6	121.635	H7	B2	H8	121.635

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCSD(T)/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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All results from a given calculation for B2H6 (Diborane)

using model chemistry: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)