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	hartrees
Energy at 0K	-51.969310
Energy at 298.15K	-51.971766
HF Energy	-51.907876
Nuclear repulsion energy	22.329471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2583	2583	0.00
2	A₁	1217	1217	0.00
3	A₁	868	868	0.00
4	B₁	548	548	0.00
5	B₂	2563	2563	71.11
6	B₂	1153	1153	5.66
7	E	2632	2632	90.01
7	E	2632	2632	90.01
8	E	1001	1001	25.91
8	E	1001	1001	25.91
9	E	411	411	4.06
9	E	411	411	4.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.015	1.456
H4	0.000	-1.015	1.456
H5	1.015	0.000	-1.456
H6	-1.015	0.000	-1.456

	B1	B2	H3	H4	H5	H6
B1		1.6388	1.1978	1.1978	2.4914	2.4914
B2	1.6388		2.4914	2.4914	1.1978	1.1978
H3	1.1978	2.4914		2.0293	3.2465	3.2465
H4	1.1978	2.4914	2.0293		3.2465	3.2465
H5	2.4914	1.1978	3.2465	3.2465		2.0293
H6	2.4914	1.1978	3.2465	3.2465	2.0293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.107	B1	B2	H6	122.107
B2	B1	H3	122.107	B2	B1	H4	122.107
H3	B1	H4	115.787	H5	B2	H6	115.787

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

using model chemistry: B2PLYP=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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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=FULL/6-311G*

States and conformations

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