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	hartrees
Energy at 0K	-53.093123
Energy at 298.15K	-53.099024
HF Energy	-52.817092
Nuclear repulsion energy	31.751511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2620	2555
2	A_g	2171	2117
3	A_g	1193	1164
4	A_g	807	787
5	A_u	838	818
6	B_1g	2698	2631
7	B_1g	927	904
8	B_1u	1992	1942
9	B_1u	985	960
10	B_2g	1890	1843
11	B_2g	886	864
12	B_2u	2714	2647
13	B_2u	962	939
14	B_2u	367	358
15	B_3g	1056	1030
16	B_3u	2604	2539
17	B_3u	1750	1707
18	B_3u	1179	1150

Atom	x (Å)	y (Å)	z (Å)
B1	0.894	0.000	0.000
B2	-0.894	0.000	0.000
H3	0.000	0.000	0.981
H4	0.000	0.000	-0.981
H5	1.471	1.054	0.000
H6	1.471	-1.054	0.000
H7	-1.471	1.054	0.000
H8	-1.471	-1.054	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7884	1.3278	1.3278	1.2009	1.2009	2.5890	2.5890
B2	1.7884		1.3278	1.3278	2.5890	2.5890	1.2009	1.2009
H3	1.3278	1.3278		1.9630	2.0582	2.0582	2.0582	2.0582
H4	1.3278	1.3278	1.9630		2.0582	2.0582	2.0582	2.0582
H5	1.2009	2.5890	2.0582	2.0582		2.1070	2.9414	3.6182
H6	1.2009	2.5890	2.0582	2.0582	2.1070		3.6182	2.9414
H7	2.5890	1.2009	2.0582	2.0582	2.9414	3.6182		2.1070
H8	2.5890	1.2009	2.0582	2.0582	3.6182	2.9414	2.1070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.672	B1	H4	B2	84.672
H3	B1	H4	95.328	H3	B1	H5	108.862
H3	B1	H6	108.862	H3	B2	H4	95.328
H3	B2	H7	108.862	H3	B2	H8	108.862
H4	B1	H5	108.862	H4	B1	H6	108.862
H4	B2	H7	108.862	H4	B2	H8	108.862
H5	B1	H6	122.624	H7	B2	H8	122.624

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for B₂H₆ (Diborane)