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	hartrees
Energy at 0K	-53.011439
Energy at 298.15K	-53.017393
HF Energy	-52.812158
Nuclear repulsion energy	32.161964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2699	2493	0.00
2	A_g	2269	2096	0.00
3	A_g	1247	1152	0.00
4	A_g	845	780	0.00
5	A_u	874	807	0.00
6	B_1g	2780	2568	0.00
7	B_1g	970	896	0.00
8	B_1u	2097	1937	18.92
9	B_1u	1019	941	18.27
10	B_2g	1950	1801	0.00
11	B_2g	902	833	0.00
12	B_2u	2792	2579	171.00
13	B_2u	1019	941	2.90
14	B_2u	378	349	13.12
15	B_3g	1097	1013	0.00
16	B_3u	2683	2479	147.55
17	B_3u	1816	1678	530.56
18	B_3u	1237	1143	74.23

Atom	x (Å)	y (Å)	z (Å)
B1	0.877	0.000	0.000
B2	-0.877	0.000	0.000
H3	0.000	0.000	0.976
H4	0.000	0.000	-0.976
H5	1.458	1.039	0.000
H6	1.458	-1.039	0.000
H7	-1.458	1.039	0.000
H8	-1.458	-1.039	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7531	1.3116	1.3116	1.1906	1.1906	2.5550	2.5550
B2	1.7531		1.3116	1.3116	2.5550	2.5550	1.1906	1.1906
H3	1.3116	1.3116		1.9515	2.0388	2.0388	2.0388	2.0388
H4	1.3116	1.3116	1.9515		2.0388	2.0388	2.0388	2.0388
H5	1.1906	2.5550	2.0388	2.0388		2.0785	2.9151	3.5802
H6	1.1906	2.5550	2.0388	2.0388	2.0785		3.5802	2.9151
H7	2.5550	1.1906	2.0388	2.0388	2.9151	3.5802		2.0785
H8	2.5550	1.1906	2.0388	2.0388	3.5802	2.9151	2.0785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	83.870	B1	H4	B2	83.870
H3	B1	H4	96.130	H3	B1	H5	109.032
H3	B1	H6	109.032	H3	B2	H4	96.130
H3	B2	H7	109.032	H3	B2	H8	109.032
H4	B1	H5	109.032	H4	B1	H6	109.032
H4	B2	H7	109.032	H4	B2	H8	109.032
H5	B1	H6	121.586	H7	B2	H8	121.586

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)