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	hartrees
Energy at 0K	-51.889185
Energy at 298.15K
HF Energy	-51.652168
Nuclear repulsion energy	22.272098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2608	2608	0.00
2	A₁	1233	1233	0.00
3	A₁	860	860	0.00
4	B₁	518	518	0.00
5	B₂	2589	2589	80.46
6	B₂	1171	1171	14.18
7	E	2664	2664	92.30
7	E	2664	2664	92.30
8	E	1011	1011	26.57
8	E	1011	1011	26.57
9	E	424	424	6.94
9	E	424	424	6.94

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.826
B2	0.000	0.000	-0.826
H3	0.000	1.016	1.456
H4	0.000	-1.016	1.456
H5	1.016	0.000	-1.456
H6	-1.016	0.000	-1.456

	B1	B2	H3	H4	H5	H6
B1		1.6526	1.1950	1.1950	2.4979	2.4979
B2	1.6526		2.4979	2.4979	1.1950	1.1950
H3	1.1950	2.4979		2.0315	3.2466	3.2466
H4	1.1950	2.4979	2.0315		3.2466	3.2466
H5	2.4979	1.1950	3.2466	3.2466		2.0315
H6	2.4979	1.1950	3.2466	3.2466	2.0315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.787	B1	B2	H6	121.787
B2	B1	H3	121.787	B2	B1	H4	121.787
H3	B1	H4	116.426	H5	B2	H6	116.426

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

using model chemistry: MP3/aug-cc-pCVTZ

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/aug-cc-pCVTZ

States and conformations

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