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	hartrees
Energy at 0K	-53.054112
Energy at 298.15K	-53.059987
HF Energy	-52.817982
Nuclear repulsion energy	31.934687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2588	2492
2	A_g	2159	2079
3	A_g	1188	1143
4	A_g	815	785
5	A_u	853	821
6	B_1g	2668	2569
7	B_1g	936	901
8	B_1u	2009	1934
9	B_1u	986	950
10	B_2g	1867	1798
11	B_2g	891	858
12	B_2u	2682	2582
13	B_2u	961	925
14	B_2u	348	335
15	B_3g	1059	1020
16	B_3u	2573	2477
17	B_3u	1725	1661
18	B_3u	1172	1129

Atom	x (Å)	y (Å)	z (Å)
B1	0.884	0.000	0.000
B2	-0.884	0.000	0.000
H3	0.000	0.000	0.987
H4	0.000	0.000	-0.987
H5	1.461	1.047	0.000
H6	1.461	-1.047	0.000
H7	-1.461	1.047	0.000
H8	-1.461	-1.047	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7676	1.3250	1.3250	1.1960	1.1960	2.5684	2.5684
B2	1.7676		1.3250	1.3250	2.5684	2.5684	1.1960	1.1960
H3	1.3250	1.3250		1.9743	2.0511	2.0511	2.0511	2.0511
H4	1.3250	1.3250	1.9743		2.0511	2.0511	2.0511	2.0511
H5	1.1960	2.5684	2.0511	2.0511		2.0944	2.9228	3.5958
H6	1.1960	2.5684	2.0511	2.0511	2.0944		3.5958	2.9228
H7	2.5684	1.1960	2.0511	2.0511	2.9228	3.5958		2.0944
H8	2.5684	1.1960	2.0511	2.0511	3.5958	2.9228	2.0944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	83.674	B1	H4	B2	83.674
H3	B1	H4	96.326	H3	B1	H5	108.793
H3	B1	H6	108.793	H3	B2	H4	96.326
H3	B2	H7	108.793	H3	B2	H8	108.793
H4	B1	H5	108.793	H4	B1	H6	108.793
H4	B2	H7	108.793	H4	B2	H8	108.793
H5	B1	H6	122.240	H7	B2	H8	122.240

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: QCISD(T)/6-311G*

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(T)/6-311G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)