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	hartrees
Energy at 0K	-51.847812
Energy at 298.15K	-51.850269
HF Energy	-51.637938
Nuclear repulsion energy	21.968981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2568	2488	0.00
2	A₁	1219	1181	0.00
3	A₁	852	826	0.00
4	B₁	496	480	0.00
5	B₂	2548	2468	88.04
6	B₂	1155	1119	19.03
7	E	2620	2538	102.19
7	E	2620	2538	102.19
8	E	998	967	23.06
8	E	998	967	23.06
9	E	427	414	8.52
9	E	427	414	8.52

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.838
B2	0.000	0.000	-0.838
H3	0.000	1.029	1.477
H4	0.000	-1.029	1.477
H5	1.029	0.000	-1.477
H6	-1.029	0.000	-1.477

	B1	B2	H3	H4	H5	H6
B1		1.6752	1.2115	1.2115	2.5328	2.5328
B2	1.6752		2.5328	2.5328	1.2115	1.2115
H3	1.2115	2.5328		2.0583	3.2926	3.2926
H4	1.2115	2.5328	2.0583		3.2926	3.2926
H5	2.5328	1.2115	3.2926	3.2926		2.0583
H6	2.5328	1.2115	3.2926	3.2926	2.0583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.840	B1	B2	H6	121.840
B2	B1	H3	121.840	B2	B1	H4	121.840
H3	B1	H4	116.320	H5	B2	H6	116.320

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

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