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	hartrees
Energy at 0K	-51.931816
Energy at 298.15K	-51.934289
HF Energy	-51.651722
Nuclear repulsion energy	22.393134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	870	843
2	B₁	543	526
3	E	2656	2575
4	E	2656	2575
5	E	2601	2521
6	E	2583	2503
7	E	1227	1189
7	E	1171	1135
8	E	1005	974
8	E	1005	974
9	E	412	400
9	E	412	400

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.820
B2	0.000	0.000	-0.820
H3	0.000	1.011	1.449
H4	0.000	-1.011	1.449
H5	1.011	0.000	-1.449
H6	-1.011	0.000	-1.449

	B1	B2	H3	H4	H5	H6
B1		1.6393	1.1911	1.1911	2.4841	2.4841
B2	1.6393		2.4841	2.4841	1.1911	1.1911
H3	1.1911	2.4841		2.0223	3.2321	3.2321
H4	1.1911	2.4841	2.0223		3.2321	3.2321
H5	2.4841	1.1911	3.2321	3.2321		2.0223
H6	2.4841	1.1911	3.2321	3.2321	2.0223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.910	B1	B2	H6	121.910
B2	B1	H3	121.910	B2	B1	H4	121.910
H3	B1	H4	116.181	H5	B2	H6	116.181

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

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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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-pVTZ

States and conformations

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