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	hartrees
Energy at 0K	-53.091304
Energy at 298.15K	-53.097203
HF Energy	-52.817696
Nuclear repulsion energy	31.713958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2602	2602
2	A_g	2162	2162
3	A_g	1192	1192
4	A_g	802	802
5	A_u	836	836
6	B_1g	2680	2680
7	B_1g	928	928
8	B_1u	1980	1980
9	B_1u	985	985
10	B_2g	1873	1873
11	B_2g	877	877
12	B_2u	2695	2695
13	B_2u	967	967
14	B_2u	367	367
15	B_3g	1056	1056
16	B_3u	2586	2586
17	B_3u	1740	1740
18	B_3u	1178	1178

Atom	x (Å)	y (Å)	z (Å)
B1	0.896	0.000	0.000
B2	-0.896	0.000	0.000
H3	0.000	0.000	0.982
H4	0.000	0.000	-0.982
H5	1.472	1.055	0.000
H6	1.472	-1.055	0.000
H7	-1.472	1.055	0.000
H8	-1.472	-1.055	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7913	1.3294	1.3294	1.2019	1.2019	2.5921	2.5921
B2	1.7913		1.3294	1.3294	2.5921	2.5921	1.2019	1.2019
H3	1.3294	1.3294		1.9648	2.0603	2.0603	2.0603	2.0603
H4	1.3294	1.3294	1.9648		2.0603	2.0603	2.0603	2.0603
H5	1.2019	2.5921	2.0603	2.0603		2.1093	2.9443	3.6219
H6	1.2019	2.5921	2.0603	2.0603	2.1093		3.6219	2.9443
H7	2.5921	1.2019	2.0603	2.0603	2.9443	3.6219		2.1093
H8	2.5921	1.2019	2.0603	2.0603	3.6219	2.9443	2.1093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.710	B1	H4	B2	84.710
H3	B1	H4	95.290	H3	B1	H5	108.853
H3	B1	H6	108.853	H3	B2	H4	95.290
H3	B2	H7	108.853	H3	B2	H8	108.853
H4	B1	H5	108.853	H4	B1	H6	108.853
H4	B2	H7	108.853	H4	B2	H8	108.853
H5	B1	H6	122.675	H7	B2	H8	122.675

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: QCISD(T)/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: QCISD(T)/daug-cc-pVDZ

States and conformations

All results from a given calculation for B₂H₆ (Diborane)