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	hartrees
Energy at 0K	-51.992975
Energy at 298.15K
HF Energy	-51.652067
Nuclear repulsion energy	22.306580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1224	1224
2	A₁	861	861
3	B₁	528	528
4	B₂	1161	1161
5	E	2648	2648
6	E	2648	2648
7	E	2593	2593
7	E	2575	2575
8	E	1005	1005
8	E	1005	1005
9	E	412	412
9	E	411	411

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.823
B2	0.000	0.000	-0.823
H3	0.000	1.015	1.454
H4	0.000	-1.015	1.454
H5	1.015	0.000	-1.454
H6	-1.015	0.000	-1.454

	B1	B2	H3	H4	H5	H6
B1		1.6464	1.1954	1.1954	2.4933	2.4933
B2	1.6464		2.4933	2.4933	1.1954	1.1954
H3	1.1954	2.4933		2.0310	3.2430	3.2430
H4	1.1954	2.4933	2.0310		3.2430	3.2430
H5	2.4933	1.1954	3.2430	3.2430		2.0310
H6	2.4933	1.1954	3.2430	3.2430	2.0310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.842	B1	B2	H6	121.842
B2	B1	H3	121.842	B2	B1	H4	121.842
H3	B1	H4	116.317	H5	B2	H6	116.317

All results from a given calculation for B₂H₄ (Diborane(4) D2d)

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

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for B2H4 (Diborane(4) D2d)

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

States and conformations

All results from a given calculation for B₂H₄ (Diborane(4) D2d)