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	hartrees
Energy at 0K	-53.183619
Energy at 298.15K	-53.189592
HF Energy	-52.835185
Nuclear repulsion energy	32.278799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2640	2559
2	A_g	2177	2110
3	A_g	1220	1182
4	A_g	827	802
5	A_u	881	854
6	B_1g	2723	2639
7	B_1g	946	917
8	B_1u	2023	1960
9	B_1u	1000	969
10	B_2g	1919	1860
11	B_2g	908	880
12	B_2u	2737	2653
13	B_2u	989	959
14	B_2u	390	378
15	B_3g	1112	1078
16	B_3u	2623	2543
17	B_3u	1772	1718
18	B_3u	1207	1170

Atom	x (Å)	y (Å)	z (Å)
B1	0.876	0.000	0.000
B2	-0.876	0.000	0.000
H3	0.000	0.000	0.972
H4	0.000	0.000	-0.972
H5	1.446	1.037	0.000
H6	1.446	-1.037	0.000
H7	-1.446	1.037	0.000
H8	-1.446	-1.037	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7516	1.3083	1.3083	1.1838	1.1838	2.5431	2.5431
B2	1.7516		1.3083	1.3083	2.5431	2.5431	1.1838	1.1838
H3	1.3083	1.3083		1.9439	2.0278	2.0278	2.0278	2.0278
H4	1.3083	1.3083	1.9439		2.0278	2.0278	2.0278	2.0278
H5	1.1838	2.5431	2.0278	2.0278		2.0748	2.8922	3.5594
H6	1.1838	2.5431	2.0278	2.0278	2.0748		3.5594	2.8922
H7	2.5431	1.1838	2.0278	2.0278	2.8922	3.5594		2.0748
H8	2.5431	1.1838	2.0278	2.0278	3.5594	2.8922	2.0748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.044	B1	H4	B2	84.044
H3	B1	H4	95.956	H3	B1	H5	108.814
H3	B1	H6	108.814	H3	B2	H4	95.956
H3	B2	H7	108.814	H3	B2	H8	108.814
H4	B1	H5	108.814	H4	B1	H6	108.814
H4	B2	H7	108.814	H4	B2	H8	108.814
H5	B1	H6	122.400	H7	B2	H8	122.400

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4=FULL/aug-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=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for B₂H₆ (Diborane)