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	hartrees
Energy at 0K	-51.806564
Energy at 298.15K	-51.809325
HF Energy	-51.609560
Nuclear repulsion energy	24.899377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2912	2739	0.07
2	A₁	2220	2088	23.39
3	A₁	1384	1302	1.81
4	A₁	1150	1081	0.65
5	A₁	722	679	4.13
6	A₂	1424	1339	0.00
7	A₂	572	538	0.00
8	B₁	2233	2101	49.84
9	B₁	800	753	3.64
10	B₂	2871	2701	41.90
11	B₂	1468	1381	224.40
12	B₂	423	398	25.48

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.734	-0.113
B2	0.000	-0.734	-0.113
H3	0.900	0.000	0.541
H4	-0.900	0.000	0.541
H5	0.000	1.896	0.026
H6	0.000	-1.896	0.026

	B1	B2	H3	H4	H5	H6
B1		1.4674	1.3330	1.3330	1.1704	2.6331
B2	1.4674		1.3330	1.3330	2.6331	1.1704
H3	1.3330	1.3330		1.8008	2.1610	2.1610
H4	1.3330	1.3330	1.8008		2.1610	2.1610
H5	1.1704	2.6331	2.1610	2.1610		3.7915
H6	2.6331	1.1704	2.1610	2.1610	3.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.604	B1	B2	H4	56.604
B1	B2	H6	173.170	B1	H3	B2	66.791
B1	H4	B2	66.791	B2	B1	H3	56.604
B2	B1	H4	56.604	B2	B1	H5	173.170
H3	B1	H4	84.981	H3	B1	H5	119.220
H3	B2	H4	84.981	H3	B2	H6	119.220
H4	B1	H5	119.220	H4	B2	H6	119.220

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

using model chemistry: MP2/6-31+G**

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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