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	hartrees
Energy at 0K	-51.924181
Energy at 298.15K	-51.926687
HF Energy	-51.651442
Nuclear repulsion energy	22.414306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1233	1187
2	A₁	875	843
3	B₁	556	536
4	B₂	1170	1127
5	E	2672	2573
6	E	2672	2573
7	E	2613	2516
7	E	2592	2495
8	E	1023	985
8	E	1023	985
9	E	422	406
9	E	421	405

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.011	1.448
H4	0.000	-1.011	1.448
H5	1.011	0.000	-1.448
H6	-1.011	0.000	-1.448

	B1	B2	H3	H4	H5	H6
B1		1.6374	1.1903	1.1903	2.4814	2.4814
B2	1.6374		2.4814	2.4814	1.1903	1.1903
H3	1.1903	2.4814		2.0212	3.2288	3.2288
H4	1.1903	2.4814	2.0212		3.2288	3.2288
H5	2.4814	1.1903	3.2288	3.2288		2.0212
H6	2.4814	1.1903	3.2288	3.2288	2.0212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.896	B1	B2	H6	121.896
B2	B1	H3	121.896	B2	B1	H4	121.896
H3	B1	H4	116.208	H5	B2	H6	116.208

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

using model chemistry: MP4=FULL/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 B2H4 (Diborane(4) D2d)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

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