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	hartrees
Energy at 0K	-51.880365
Energy at 298.15K	-51.882842
HF Energy	-51.650240
Nuclear repulsion energy	22.268740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2602	2602	0.00
2	A₁	1231	1231	0.00
3	A₁	859	859	0.00
4	B₁	520	520	0.00
5	B₂	2581	2581	79.05
6	B₂	1171	1171	13.92
7	E	2657	2657	90.88
7	E	2657	2657	90.88
8	E	1011	1011	26.56
8	E	1011	1011	26.56
9	E	425	425	7.07
9	E	425	425	7.07

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.826
B2	0.000	0.000	-0.826
H3	0.000	1.016	1.456
H4	0.000	-1.016	1.456
H5	1.016	0.000	-1.456
H6	-1.016	0.000	-1.456

	B1	B2	H3	H4	H5	H6
B1		1.6530	1.1950	1.1950	2.4984	2.4984
B2	1.6530		2.4984	2.4984	1.1950	1.1950
H3	1.1950	2.4984		2.0314	3.2472	3.2472
H4	1.1950	2.4984	2.0314		3.2472	3.2472
H5	2.4984	1.1950	3.2472	3.2472		2.0314
H6	2.4984	1.1950	3.2472	3.2472	2.0314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.792	B1	B2	H6	121.792
B2	B1	H3	121.792	B2	B1	H4	121.792
H3	B1	H4	116.415	H5	B2	H6	116.415

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

using model chemistry: MP3/6-311+G(3df,2p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: MP3/6-311+G(3df,2p)

States and conformations

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