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	hartrees
Energy at 0K	-51.861078
Energy at 298.15K	-51.863892
HF Energy	-51.618413
Nuclear repulsion energy	24.679351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2836	2750
2	A₁	2109	2045
3	A₁	1339	1299
4	A₁	1118	1084
5	A₁	728	706
6	A₂	1322	1282
7	A₂	612	594
8	B₁	2106	2042
9	B₁	801	776
10	B₂	2797	2712
11	B₂	1377	1335
12	B₂	461	447

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.738	-0.117
B2	0.000	-0.738	-0.117
H3	0.905	0.000	0.566
H4	-0.905	0.000	0.566
H5	0.000	1.907	0.017
H6	0.000	-1.907	0.017

	B1	B2	H3	H4	H5	H6
B1		1.4768	1.3532	1.3532	1.1758	2.6484
B2	1.4768		1.3532	1.3532	2.6484	1.1758
H3	1.3532	1.3532		1.8106	2.1808	2.1808
H4	1.3532	1.3532	1.8106		2.1808	2.1808
H5	1.1758	2.6484	2.1808	2.1808		3.8132
H6	2.6484	1.1758	2.1808	2.1808	3.8132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.929	B1	B2	H4	56.929
B1	B2	H6	173.457	B1	H3	B2	66.143
B1	H4	B2	66.143	B2	B1	H3	56.929
B2	B1	H4	56.929	B2	B1	H5	173.457
H3	B1	H4	83.981	H3	B1	H5	118.988
H3	B2	H4	83.981	H3	B2	H6	118.988
H4	B1	H5	118.988	H4	B2	H6	118.988

All results from a given calculation for HBHHBH (Diborane(4) C2V)

using model chemistry: MP4/6-311G**

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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