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	hartrees
Energy at 0K	-51.813060
Energy at 298.15K	-51.815517
HF Energy	-51.638025
Nuclear repulsion energy	22.062057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2614	2534	0.00
2	A₁	1229	1191	0.00
3	A₁	861	834	0.00
4	B₁	514	498	0.00
5	B₂	2595	2515	85.93
6	B₂	1165	1129	16.47
7	E	2672	2590	98.24
7	E	2672	2590	98.24
8	E	1006	975	26.10
8	E	1006	975	26.10
9	E	416	403	7.85
9	E	416	403	7.85

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.834
B2	0.000	0.000	-0.834
H3	0.000	1.025	1.470
H4	0.000	-1.025	1.470
H5	1.025	0.000	-1.470
H6	-1.025	0.000	-1.470

	B1	B2	H3	H4	H5	H6
B1		1.6685	1.2062	1.2062	2.5217	2.5217
B2	1.6685		2.5217	2.5217	1.2062	1.2062
H3	1.2062	2.5217		2.0508	3.2773	3.2773
H4	1.2062	2.5217	2.0508		3.2773	3.2773
H5	2.5217	1.2062	3.2773	3.2773		2.0508
H6	2.5217	1.2062	3.2773	3.2773	2.0508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.780	B1	B2	H6	121.780
B2	B1	H3	121.780	B2	B1	H4	121.780
H3	B1	H4	116.440	H5	B2	H6	116.440

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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: MP2=FULL/aug-cc-pVDZ

States and conformations

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