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	hartrees
Energy at 0K	-53.141568
Energy at 298.15K	-53.147502
HF Energy	-52.835010
Nuclear repulsion energy	32.122695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2634	2553
2	A_g	2189	2121
3	A_g	1216	1179
4	A_g	817	792
5	A_u	860	834
6	B_1g	2715	2631
7	B_1g	948	919
8	B_1u	2015	1953
9	B_1u	1001	970
10	B_2g	1904	1845
11	B_2g	904	876
12	B_2u	2728	2644
13	B_2u	981	951
14	B_2u	370	359
15	B_3g	1068	1035
16	B_3u	2619	2538
17	B_3u	1752	1698
18	B_3u	1203	1166

Atom	x (Å)	y (Å)	z (Å)
B1	0.881	0.000	0.000
B2	-0.881	0.000	0.000
H3	0.000	0.000	0.976
H4	0.000	0.000	-0.976
H5	1.454	1.040	0.000
H6	1.454	-1.040	0.000
H7	-1.454	1.040	0.000
H8	-1.454	-1.040	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7623	1.3149	1.3149	1.1877	1.1877	2.5567	2.5567
B2	1.7623		1.3149	1.3149	2.5567	2.5567	1.1877	1.1877
H3	1.3149	1.3149		1.9518	2.0371	2.0371	2.0371	2.0371
H4	1.3149	1.3149	1.9518		2.0371	2.0371	2.0371	2.0371
H5	1.1877	2.5567	2.0371	2.0371		2.0806	2.9086	3.5762
H6	1.1877	2.5567	2.0371	2.0371	2.0806		3.5762	2.9086
H7	2.5567	1.1877	2.0371	2.0371	2.9086	3.5762		2.0806
H8	2.5567	1.1877	2.0371	2.0371	3.5762	2.9086	2.0806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.157	B1	H4	B2	84.157
H3	B1	H4	95.843	H3	B1	H5	108.868
H3	B1	H6	108.868	H3	B2	H4	95.843
H3	B2	H7	108.868	H3	B2	H8	108.868
H4	B1	H5	108.868	H4	B1	H6	108.868
H4	B2	H7	108.868	H4	B2	H8	108.868
H5	B1	H6	122.295	H7	B2	H8	122.295

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4/cc-pVTZ

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: MP4/cc-pVTZ

States and conformations

All results from a given calculation for B₂H₆ (Diborane)