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	hartrees
Energy at 0K	-51.996049
Energy at 298.15K	-51.998515
HF Energy	-51.918558
Nuclear repulsion energy	22.429249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2602	2496	0.00
2	A₁	1221	1171	0.00
3	A₁	871	836	0.00
4	B₁	556	533	0.00
5	B₂	2583	2478	67.90
6	B₂	1161	1114	5.52
7	E	2650	2543	85.45
7	E	2650	2543	85.45
8	E	1006	965	26.75
8	E	1006	965	26.75
9	E	405	389	5.10
9	E	405	389	5.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.816
B2	0.000	0.000	-0.816
H3	0.000	1.011	1.448
H4	0.000	-1.011	1.448
H5	1.011	0.000	-1.448
H6	-1.011	0.000	-1.448

	B1	B2	H3	H4	H5	H6
B1		1.6327	1.1920	1.1920	2.4795	2.4795
B2	1.6327		2.4795	2.4795	1.1920	1.1920
H3	1.1920	2.4795		2.0221	3.2291	3.2291
H4	1.1920	2.4795	2.0221		3.2291	3.2291
H5	2.4795	1.1920	3.2291	3.2291		2.0221
H6	2.4795	1.1920	3.2291	3.2291	2.0221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.979	B1	B2	H6	121.979
B2	B1	H3	121.979	B2	B1	H4	121.979
H3	B1	H4	116.041	H5	B2	H6	116.041

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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