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	hartrees
Energy at 0K	-51.833554
Energy at 298.15K	-51.836050
HF Energy	-51.638320
Nuclear repulsion energy	22.007509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2602	2602	0.00
2	A₁	1236	1236	0.00
3	A₁	856	856	0.00
4	B₁	496	496	0.00
5	B₂	2581	2581	95.55
6	B₂	1174	1174	22.28
7	E	2655	2655	107.53
7	E	2655	2655	107.53
8	E	1016	1016	25.81
8	E	1016	1016	25.81
9	E	441	441	9.34
9	E	441	441	9.34

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.838
B2	0.000	0.000	-0.838
H3	0.000	1.026	1.474
H4	0.000	-1.026	1.474
H5	1.026	0.000	-1.474
H6	-1.026	0.000	-1.474

	B1	B2	H3	H4	H5	H6
B1		1.6758	1.2071	1.2071	2.5290	2.5290
B2	1.6758		2.5290	2.5290	1.2071	1.2071
H3	1.2071	2.5290		2.0522	3.2850	3.2850
H4	1.2071	2.5290	2.0522		3.2850	3.2850
H5	2.5290	1.2071	3.2850	3.2850		2.0522
H6	2.5290	1.2071	3.2850	3.2850	2.0522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.778	B1	B2	H6	121.778
B2	B1	H3	121.778	B2	B1	H4	121.778
H3	B1	H4	116.444	H5	B2	H6	116.444

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

using model chemistry: CID/daug-cc-pVDZ

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: CID/daug-cc-pVDZ

States and conformations

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