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	hartrees
Energy at 0K	-51.960432
Energy at 298.15K
HF Energy	-51.902012
Nuclear repulsion energy	22.200967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2589	2491	0.00
2	A₁	1207	1162	0.00
3	A₁	866	833	0.00
4	B₁	538	518	0.00
5	B₂	2568	2471	71.53
6	B₂	1143	1100	7.13
7	E	2641	2541	89.53
7	E	2641	2541	89.53
8	E	998	960	24.45
8	E	998	960	24.45
9	E	401	385	5.64
9	E	401	385	5.64

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.824
B2	0.000	0.000	-0.824
H3	0.000	1.023	1.461
H4	0.000	-1.023	1.461
H5	1.023	0.000	-1.461
H6	-1.023	0.000	-1.461

	B1	B2	H3	H4	H5	H6
B1		1.6487	1.2049	1.2049	2.5041	2.5041
B2	1.6487		2.5041	2.5041	1.2049	1.2049
H3	1.2049	2.5041		2.0454	3.2611	3.2611
H4	1.2049	2.5041	2.0454		3.2611	3.2611
H5	2.5041	1.2049	3.2611	3.2611		2.0454
H6	2.5041	1.2049	3.2611	3.2611	2.0454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.920	B1	B2	H6	121.920
B2	B1	H3	121.920	B2	B1	H4	121.920
H3	B1	H4	116.160	H5	B2	H6	116.160

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

using model chemistry: B2PLYP=FULLultrafine/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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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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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