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	hartrees
Energy at 0K	-51.856996
Energy at 298.15K	-51.859478
HF Energy	-51.641042
Nuclear repulsion energy	22.183703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2581	2581	0.00
2	A₁	1220	1220	0.00
3	A₁	862	862	0.00
4	B₁	525	525	0.00
5	B₂	2562	2562	72.39
6	B₂	1158	1158	8.76
7	E	2639	2639	85.36
7	E	2639	2639	85.36
8	E	1008	1008	21.63
8	E	1008	1008	21.63
9	E	433	433	4.35
9	E	433	433	4.35

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.828
B2	0.000	0.000	-0.828
H3	0.000	1.020	1.463
H4	0.000	-1.020	1.463
H5	1.020	0.000	-1.463
H6	-1.020	0.000	-1.463

	B1	B2	H3	H4	H5	H6
B1		1.6553	1.2021	1.2021	2.5079	2.5079
B2	1.6553		2.5079	2.5079	1.2021	1.2021
H3	1.2021	2.5079		2.0406	3.2630	3.2630
H4	1.2021	2.5079	2.0406		3.2630	3.2630
H5	2.5079	1.2021	3.2630	3.2630		2.0406
H6	2.5079	1.2021	3.2630	3.2630	2.0406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.926	B1	B2	H6	121.926
B2	B1	H3	121.926	B2	B1	H4	121.926
H3	B1	H4	116.149	H5	B2	H6	116.149

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

using model chemistry: MP3=FULL/6-311G*

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: MP3=FULL/6-311G*

States and conformations

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