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	hartrees
Energy at 0K	-51.903770
Energy at 298.15K	-51.906247
HF Energy	-51.655007
Nuclear repulsion energy	22.288536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2591	2462	0.00
2	A₁	1233	1172	0.00
3	A₁	861	818	0.00
4	B₁	515	490	0.00
5	B₂	2570	2443	78.62
6	B₂	1170	1113	13.30
7	E	2644	2513	92.01
7	E	2644	2513	92.01
8	E	1009	959	25.84
8	E	1009	959	25.84
9	E	428	407	6.94
9	E	428	407	6.94

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.825
B2	0.000	0.000	-0.825
H3	0.000	1.016	1.455
H4	0.000	-1.016	1.455
H5	1.016	0.000	-1.455
H6	-1.016	0.000	-1.455

	B1	B2	H3	H4	H5	H6
B1		1.6491	1.1956	1.1956	2.4954	2.4954
B2	1.6491		2.4954	2.4954	1.1956	1.1956
H3	1.1956	2.4954		2.0323	3.2447	3.2447
H4	1.1956	2.4954	2.0323		3.2447	3.2447
H5	2.4954	1.1956	3.2447	3.2447		2.0323
H6	2.4954	1.1956	3.2447	3.2447	2.0323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.800	B1	B2	H6	121.800
B2	B1	H3	121.800	B2	B1	H4	121.800
H3	B1	H4	116.400	H5	B2	H6	116.400

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

using model chemistry: CCSD/cc-pVQZ

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: CCSD/cc-pVQZ

States and conformations

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