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	hartrees
Energy at 0K	-53.076446
Energy at 298.15K	-53.082410
HF Energy	-52.820732
Nuclear repulsion energy	32.228839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2699	2544	0.00
2	A_g	2261	2131	0.00
3	A_g	1249	1177	0.00
4	A_g	840	791	0.00
5	A_u	866	816	0.00
6	B_1g	2778	2618	0.00
7	B_1g	966	911	0.00
8	B_1u	2079	1959	19.33
9	B_1u	1013	955	22.25
10	B_2g	1947	1834	0.00
11	B_2g	882	831	0.00
12	B_2u	2792	2631	204.46
13	B_2u	1022	963	5.63
14	B_2u	387	364	12.50
15	B_3g	1083	1021	0.00
16	B_3u	2683	2528	161.23
17	B_3u	1815	1711	553.01
18	B_3u	1238	1167	90.67

Atom	x (Å)	y (Å)	z (Å)
B1	0.879	0.000	0.000
B2	-0.879	0.000	0.000
H3	0.000	0.000	0.967
H4	0.000	0.000	-0.967
H5	1.455	1.035	0.000
H6	1.455	-1.035	0.000
H7	-1.455	1.035	0.000
H8	-1.455	-1.035	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7582	1.3071	1.3071	1.1847	1.1847	2.5534	2.5534
B2	1.7582		1.3071	1.3071	2.5534	2.5534	1.1847	1.1847
H3	1.3071	1.3071		1.9347	2.0309	2.0309	2.0309	2.0309
H4	1.3071	1.3071	1.9347		2.0309	2.0309	2.0309	2.0309
H5	1.1847	2.5534	2.0309	2.0309		2.0708	2.9099	3.5715
H6	1.1847	2.5534	2.0309	2.0309	2.0708		3.5715	2.9099
H7	2.5534	1.1847	2.0309	2.0309	2.9099	3.5715		2.0708
H8	2.5534	1.1847	2.0309	2.0309	3.5715	2.9099	2.0708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.526	B1	H4	B2	84.526
H3	B1	H4	95.474	H3	B1	H5	109.080
H3	B1	H6	109.080	H3	B2	H4	95.474
H3	B2	H7	109.080	H3	B2	H8	109.080
H4	B1	H5	109.080	H4	B1	H6	109.080
H4	B2	H7	109.080	H4	B2	H8	109.080
H5	B1	H6	121.836	H7	B2	H8	121.836

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for B₂H₆ (Diborane)