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	hartrees
Energy at 0K	-51.892222
Energy at 298.15K
HF Energy	-51.652036
Nuclear repulsion energy	22.241807

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.828
B2	0.000	0.000	-0.828
H3	0.000	1.017	1.458
H4	0.000	-1.017	1.458
H5	1.017	0.000	-1.458
H6	-1.017	0.000	-1.458

	B1	B2	H3	H4	H5	H6
B1		1.6552	1.1964	1.1964	2.5013	2.5013
B2	1.6552		2.5013	2.5013	1.1964	1.1964
H3	1.1964	2.5013		2.0340	3.2508	3.2508
H4	1.1964	2.5013	2.0340		3.2508	3.2508
H5	2.5013	1.1964	3.2508	3.2508		2.0340
H6	2.5013	1.1964	3.2508	3.2508	2.0340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.779	B1	B2	H6	121.779
B2	B1	H3	121.779	B2	B1	H4	121.779
H3	B1	H4	116.442	H5	B2	H6	116.442

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

using model chemistry: CCD/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: CCD/daug-cc-pVTZ

States and conformations

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