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	hartrees
Energy at 0K	-51.921756
Energy at 298.15K	-51.924299
HF Energy	-51.886486
Nuclear repulsion energy	22.272344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2609	2609	0.00
2	A₁	1239	1239	0.00
3	A₁	888	888	0.00
4	B₁	554	554	0.00
5	B₂	2586	2586	82.46
6	B₂	1187	1187	6.11
7	E	2659	2659	96.30
7	E	2659	2659	96.30
8	E	1017	1017	30.34
8	E	1017	1017	30.34
9	E	449	449	2.95
9	E	449	449	2.95

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.822
B2	0.000	0.000	-0.822
H3	0.000	1.016	1.461
H4	0.000	-1.016	1.461
H5	1.016	0.000	-1.461
H6	-1.016	0.000	-1.461

	B1	B2	H3	H4	H5	H6
B1		1.6443	1.2000	1.2000	2.4986	2.4986
B2	1.6443		2.4986	2.4986	1.2000	1.2000
H3	1.2000	2.4986		2.0320	3.2554	3.2554
H4	1.2000	2.4986	2.0320		3.2554	3.2554
H5	2.4986	1.2000	3.2554	3.2554		2.0320
H6	2.4986	1.2000	3.2554	3.2554	2.0320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.144	B1	B2	H6	122.144
B2	B1	H3	122.144	B2	B1	H4	122.144
H3	B1	H4	115.712	H5	B2	H6	115.712

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G

States and conformations

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