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	hartrees
Energy at 0K	-51.996479
Energy at 298.15K
HF Energy	-51.919223
Nuclear repulsion energy	22.410542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2605	2605	0.00
2	A₁	1223	1223	0.00
3	A₁	870	870	0.00
4	B₁	554	554	0.00
5	B₂	2586	2586	68.86
6	B₂	1162	1162	5.49
7	E	2653	2653	85.70
7	E	2653	2653	85.70
8	E	1009	1009	27.26
8	E	1009	1009	27.26
9	E	409	409	4.89
9	E	409	409	4.89

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.817
B2	0.000	0.000	-0.817
H3	0.000	1.011	1.449
H4	0.000	-1.011	1.449
H5	1.011	0.000	-1.449
H6	-1.011	0.000	-1.449

	B1	B2	H3	H4	H5	H6
B1		1.6349	1.1924	1.1924	2.4818	2.4818
B2	1.6349		2.4818	2.4818	1.1924	1.1924
H3	1.1924	2.4818		2.0230	3.2315	3.2315
H4	1.1924	2.4818	2.0230		3.2315	3.2315
H5	2.4818	1.1924	3.2315	3.2315		2.0230
H6	2.4818	1.1924	3.2315	3.2315	2.0230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.973	B1	B2	H6	121.973
B2	B1	H3	121.973	B2	B1	H4	121.973
H3	B1	H4	116.054	H5	B2	H6	116.054

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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=FULLultrafine/Def2TZVPP

States and conformations

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