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	hartrees
Energy at 0K	-51.869899
Energy at 298.15K	-51.872402
HF Energy	-51.650256
Nuclear repulsion energy	22.277104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2613	2409	0.00
2	A₁	1247	1150	0.00
3	A₁	862	795	0.00
4	B₁	515	474	0.00
5	B₂	2591	2388	85.06
6	B₂	1187	1095	15.89
7	E	2664	2455	98.37
7	E	2664	2455	98.37
8	E	1022	942	27.30
8	E	1022	942	27.30
9	E	438	404	7.84
9	E	438	404	7.84

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.827
B2	0.000	0.000	-0.827
H3	0.000	1.015	1.455
H4	0.000	-1.015	1.455
H5	1.015	0.000	-1.455
H6	-1.015	0.000	-1.455

	B1	B2	H3	H4	H5	H6
B1		1.6537	1.1937	1.1937	2.4977	2.4977
B2	1.6537		2.4977	2.4977	1.1937	1.1937
H3	1.1937	2.4977		2.0296	3.2454	3.2454
H4	1.1937	2.4977	2.0296		3.2454	3.2454
H5	2.4977	1.1937	3.2454	3.2454		2.0296
H6	2.4977	1.1937	3.2454	3.2454	2.0296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.776	B1	B2	H6	121.776
B2	B1	H3	121.776	B2	B1	H4	121.776
H3	B1	H4	116.449	H5	B2	H6	116.449

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

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

States and conformations

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