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	hartrees
Energy at 0K	-51.845396
Energy at 298.15K	-51.847853
HF Energy	-51.638017
Nuclear repulsion energy	22.010576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2597	2597	0.00
2	A₁	1223	1223	0.00
3	A₁	855	855	0.00
4	B₁	503	503	0.00
5	B₂	2577	2577	87.31
6	B₂	1160	1160	19.03
7	E	2652	2652	99.32
7	E	2652	2652	99.32
8	E	1002	1002	24.70
8	E	1002	1002	24.70
9	E	423	423	8.32
9	E	423	423	8.32

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
H3	0.000	1.027	1.474
H4	0.000	-1.027	1.474
H5	1.027	0.000	-1.474
H6	-1.027	0.000	-1.474

	B1	B2	H3	H4	H5	H6
B1		1.6734	1.2083	1.2083	2.5282	2.5282
B2	1.6734		2.5282	2.5282	1.2083	1.2083
H3	1.2083	2.5282		2.0537	3.2855	3.2855
H4	1.2083	2.5282	2.0537		3.2855	3.2855
H5	2.5282	1.2083	3.2855	3.2855		2.0537
H6	2.5282	1.2083	3.2855	3.2855	2.0537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.809	B1	B2	H6	121.809
B2	B1	H3	121.809	B2	B1	H4	121.809
H3	B1	H4	116.383	H5	B2	H6	116.383

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

using model chemistry: MP3=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: MP3=FULL/aug-cc-pVDZ

States and conformations

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