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	hartrees
Energy at 0K	-53.095509
Energy at 298.15K	-53.101450
HF Energy	-52.820725
Nuclear repulsion energy	32.229813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2686	2686
2	A_g	2252	2252
3	A_g	1241	1241
4	A_g	832	832
5	A_u	862	862
6	B_1g	2765	2765
7	B_1g	961	961
8	B_1u	2071	2071
9	B_1u	1006	1006
10	B_2g	1937	1937
11	B_2g	876	876
12	B_2u	2778	2778
13	B_2u	1008	1008
14	B_2u	378	378
15	B_3g	1066	1066
16	B_3u	2670	2670
17	B_3u	1807	1807
18	B_3u	1232	1232

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	1.036	0.000
H6	1.455	-1.036	0.000
H7	-1.455	1.036	0.000
H8	-1.455	-1.036	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7578	1.3069	1.3069	1.1852	1.1852	2.5533	2.5533
B2	1.7578		1.3069	1.3069	2.5533	2.5533	1.1852	1.1852
H3	1.3069	1.3069		1.9343	2.0310	2.0310	2.0310	2.0310
H4	1.3069	1.3069	1.9343		2.0310	2.0310	2.0310	2.0310
H5	1.1852	2.5533	2.0310	2.0310		2.0716	2.9097	3.5719
H6	1.1852	2.5533	2.0310	2.0310	2.0716		3.5719	2.9097
H7	2.5533	1.1852	2.0310	2.0310	2.9097	3.5719		2.0716
H8	2.5533	1.1852	2.0310	2.0310	3.5719	2.9097	2.0716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.527	B1	H4	B2	84.527
H3	B1	H4	95.473	H3	B1	H5	109.076
H3	B1	H6	109.076	H3	B2	H4	95.473
H3	B2	H7	109.076	H3	B2	H8	109.076
H4	B1	H5	109.076	H4	B1	H6	109.076
H4	B2	H7	109.076	H4	B2	H8	109.076
H5	B1	H6	121.849	H7	B2	H8	121.849

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: QCISD(TQ)=FULL/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: QCISD(TQ)=FULL/6-31+G**

States and conformations

All results from a given calculation for B₂H₆ (Diborane)