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	hartrees
Energy at 0K	-52.941615
Energy at 298.15K	-52.947551
HF Energy	-52.774711
Nuclear repulsion energy	31.763890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2619	2512	0.00
2	A_g	2170	2082	0.00
3	A_g	1214	1165	0.00
4	A_g	808	776	0.00
5	A_u	855	820	0.00
6	B_1g	2703	2593	0.00
7	B_1g	956	917	0.00
8	B_1u	1942	1863	25.63
9	B_1u	983	943	15.27
10	B_2g	1860	1785	0.00
11	B_2g	810	777	0.00
12	B_2u	2714	2604	174.19
13	B_2u	1030	989	5.64
14	B_2u	415	398	9.15
15	B_3g	1058	1016	0.00
16	B_3u	2604	2499	139.09
17	B_3u	1743	1673	572.87
18	B_3u	1212	1163	86.09

Atom	x (Å)	y (Å)	z (Å)
B1	0.895	0.000	0.000
B2	-0.895	0.000	0.000
H3	0.000	0.000	0.978
H4	0.000	0.000	-0.978
H5	1.480	1.046	0.000
H6	1.480	-1.046	0.000
H7	-1.480	1.046	0.000
H8	-1.480	-1.046	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7902	1.3257	1.3257	1.1984	1.1984	2.5955	2.5955
B2	1.7902		1.3257	1.3257	2.5955	2.5955	1.1984	1.1984
H3	1.3257	1.3257		1.9556	2.0594	2.0594	2.0594	2.0594
H4	1.3257	1.3257	1.9556		2.0594	2.0594	2.0594	2.0594
H5	1.1984	2.5955	2.0594	2.0594		2.0916	2.9607	3.6250
H6	1.1984	2.5955	2.0594	2.0594	2.0916		3.6250	2.9607
H7	2.5955	1.1984	2.0594	2.0594	2.9607	3.6250		2.0916
H8	2.5955	1.1984	2.0594	2.0594	3.6250	2.9607	2.0916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.943	B1	H4	B2	84.943
H3	B1	H4	95.057	H3	B1	H5	109.253
H3	B1	H6	109.253	H3	B2	H4	95.057
H3	B2	H7	109.253	H3	B2	H8	109.253
H4	B1	H5	109.253	H4	B1	H6	109.253
H4	B2	H7	109.253	H4	B2	H8	109.253
H5	B1	H6	121.535	H7	B2	H8	121.535

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCD/6-31G

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 B2H6 (Diborane)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for B₂H₆ (Diborane)