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	hartrees
Energy at 0K	-51.927178
Energy at 298.15K	-51.930087
HF Energy	-51.625478
Nuclear repulsion energy	24.939637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2837	2732
2	A₁	2157	2077
3	A₁	1362	1311
4	A₁	1126	1084
5	A₁	725	698
6	A₂	1360	1309
7	A₂	686	661
8	B₁	2150	2070
9	B₁	809	779
10	B₂	2791	2687
11	B₂	1385	1334
12	B₂	522	503

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.730	-0.117
B2	0.000	-0.730	-0.117
H3	0.893	0.000	0.555
H4	-0.893	0.000	0.555
H5	0.000	1.890	0.031
H6	0.000	-1.890	0.031

	B1	B2	H3	H4	H5	H6
B1		1.4606	1.3357	1.3357	1.1696	2.6249
B2	1.4606		1.3357	1.3357	2.6249	1.1696
H3	1.3357	1.3357		1.7869	2.1557	2.1557
H4	1.3357	1.3357	1.7869		2.1557	2.1557
H5	1.1696	2.6249	2.1557	2.1557		3.7809
H6	2.6249	1.1696	2.1557	2.1557	3.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.855	B1	B2	H4	56.855
B1	B2	H6	172.720	B1	H3	B2	66.290
B1	H4	B2	66.290	B2	B1	H3	56.855
B2	B1	H4	56.855	B2	B1	H5	172.720
H3	B1	H4	83.964	H3	B1	H5	118.590
H3	B2	H4	83.964	H3	B2	H6	118.590
H4	B1	H5	118.590	H4	B2	H6	118.590

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

using model chemistry: MP4=FULL/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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