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	hartrees
Energy at 0K	-52.663075
Energy at 298.15K	-52.669018
HF Energy	-52.497215
Nuclear repulsion energy	31.872237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2639	2566	0.00
2	A_g	2177	2117	0.00
3	A_g	1215	1181	0.00
4	A_g	815	792	0.00
5	A_u	873	849	0.00
6	B_1g	2730	2655	0.00
7	B_1g	920	894	0.00
8	B_1u	1946	1892	22.57
9	B_1u	977	950	13.90
10	B_2g	1885	1833	0.00
11	B_2g	809	786	0.00
12	B_2u	2739	2664	121.07
13	B_2u	1021	992	3.98
14	B_2u	413	401	8.64
15	B_3g	1099	1068	0.00
16	B_3u	2628	2555	110.58
17	B_3u	1773	1724	540.51
18	B_3u	1215	1181	74.72

Atom	x (Å)	y (Å)	z (Å)
B1	0.889	0.000	0.000
B2	-0.889	0.000	0.000
H3	0.000	0.000	0.978
H4	0.000	0.000	-0.978
H5	1.470	1.048	0.000
H6	1.470	-1.048	0.000
H7	-1.470	1.048	0.000
H8	-1.470	-1.048	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7780	1.3217	1.3217	1.1982	1.1982	2.5811	2.5811
B2	1.7780		1.3217	1.3217	2.5811	2.5811	1.1982	1.1982
H3	1.3217	1.3217		1.9562	2.0531	2.0531	2.0531	2.0531
H4	1.3217	1.3217	1.9562		2.0531	2.0531	2.0531	2.0531
H5	1.1982	2.5811	2.0531	2.0531		2.0961	2.9394	3.6102
H6	1.1982	2.5811	2.0531	2.0531	2.0961		3.6102	2.9394
H7	2.5811	1.1982	2.0531	2.0531	2.9394	3.6102		2.0961
H8	2.5811	1.1982	2.0531	2.0531	3.6102	2.9394	2.0961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.535	B1	H4	B2	84.535
H3	B1	H4	95.465	H3	B1	H5	109.026
H3	B1	H6	109.026	H3	B2	H4	95.465
H3	B2	H7	109.026	H3	B2	H8	109.026
H4	B1	H5	109.026	H4	B1	H6	109.026
H4	B2	H7	109.026	H4	B2	H8	109.026
H5	B1	H6	122.017	H7	B2	H8	122.017

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

All results from a given calculation for B₂H₆ (Diborane)