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	hartrees
Energy at 0K	-51.897074
Energy at 298.15K	-51.899996
HF Energy	-51.625571
Nuclear repulsion energy	24.792085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2834	2747
2	A₁	2127	2061
3	A₁	1342	1301
4	A₁	1110	1076
5	A₁	732	709
6	A₂	1347	1306
7	A₂	683	662
8	B₁	2124	2058
9	B₁	801	776
10	B₂	2795	2709
11	B₂	1400	1357
12	B₂	547	530

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.735	-0.117
B2	0.000	-0.735	-0.117
H3	0.898	0.000	0.564
H4	-0.898	0.000	0.564
H5	0.000	1.900	0.019
H6	0.000	-1.900	0.019

	B1	B2	H3	H4	H5	H6
B1		1.4698	1.3453	1.3453	1.1733	2.6388
B2	1.4698		1.3453	1.3453	2.6388	1.1733
H3	1.3453	1.3453		1.7957	2.1715	2.1715
H4	1.3453	1.3453	1.7957		2.1715	2.1715
H5	1.1733	2.6388	2.1715	2.1715		3.8008
H6	2.6388	1.1733	2.1715	2.1715	3.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.888	B1	B2	H4	56.888
B1	B2	H6	173.384	B1	H3	B2	66.224
B1	H4	B2	66.224	B2	B1	H3	56.888
B2	B1	H4	56.888	B2	B1	H5	173.384
H3	B1	H4	83.730	H3	B1	H5	118.968
H3	B2	H4	83.730	H3	B2	H6	118.968
H4	B1	H5	118.968	H4	B2	H6	118.968

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

using model chemistry: MP4/cc-pVTZ

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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