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	hartrees
Energy at 0K	-51.823269
Energy at 298.15K	-51.825767
HF Energy	-51.634214
Nuclear repulsion energy	22.205281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1241	1205
2	A₁	881	855
3	B₁	528	513
4	B₂	1180	1145
5	E	2660	2583
5	E	2660	2582
6	E	2606	2530
6	E	2586	2510
7	E	1014	984
7	E	1014	984
8	E	442	429
8	E	441	428

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.825
B2	0.000	0.000	-0.825
H3	0.000	1.020	1.464
H4	0.000	-1.020	1.464
H5	1.020	0.000	-1.464
H6	-1.020	0.000	-1.464

	B1	B2	H3	H4	H5	H6
B1		1.6494	1.2035	1.2035	2.5057	2.5057
B2	1.6494		2.5057	2.5057	1.2035	1.2035
H3	1.2035	2.5057		2.0390	3.2640	3.2640
H4	1.2035	2.5057	2.0390		3.2640	3.2640
H5	2.5057	1.2035	3.2640	3.2640		2.0390
H6	2.5057	1.2035	3.2640	3.2640	2.0390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.096	B1	B2	H6	122.096
B2	B1	H3	122.096	B2	B1	H4	122.096
H3	B1	H4	115.808	H5	B2	H6	115.808

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

using model chemistry: CCSD(T)=FULL/6-31G*

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: CCSD(T)=FULL/6-31G*

States and conformations

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