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	hartrees
Energy at 0K	-51.900148
Energy at 298.15K	-51.902640
HF Energy	-51.651952
Nuclear repulsion energy	22.247700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1226	1226
2	B₁	533	533
3	E	2636	2636
4	E	2628	2628
5	E	2578	2578
6	E	2564	2564
7	E	1163	1163
7	E	1013	1013
8	E	1004	1004
8	E	866	866
9	E	468	468
9	E	402	402

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.826
B2	0.000	0.000	-0.826
H3	0.000	1.018	1.458
H4	0.000	-1.018	1.458
H5	1.018	0.000	-1.458
H6	-1.018	0.000	-1.458

	B1	B2	H3	H4	H5	H6
B1		1.6510	1.1983	1.1983	2.5001	2.5001
B2	1.6510		2.5001	2.5001	1.1983	1.1983
H3	1.1983	2.5001		2.0356	3.2520	3.2520
H4	1.1983	2.5001	2.0356		3.2520	3.2520
H5	2.5001	1.1983	3.2520	3.2520		2.0356
H6	2.5001	1.1983	3.2520	3.2520	2.0356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.861	B1	B2	H6	121.861
B2	B1	H3	121.861	B2	B1	H4	121.861
H3	B1	H4	116.277	H5	B2	H6	116.277

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

using model chemistry: CCSD(T)/daug-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: CCSD(T)/daug-cc-pVTZ

States and conformations

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