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	hartrees
Energy at 0K	-51.683430
Energy at 298.15K	-51.686086
HF Energy	-51.564737
Nuclear repulsion energy	24.232877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2880	2774	0.71
2	A₁	1980	1907	47.97
3	A₁	1318	1270	3.41
4	A₁	1132	1091	6.93
5	A₁	734	707	7.91
6	A₂	1198	1154	0.00
7	A₂	486	468	0.00
8	B₁	1988	1914	111.60
9	B₁	811	782	0.24
10	B₂	2834	2729	43.54
11	B₂	1239	1194	207.82
12	B₂	414	399	111.87

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.751	-0.112
B2	0.000	-0.751	-0.112
H3	0.941	0.000	0.595
H4	-0.941	0.000	0.595
H5	0.000	1.924	-0.033
H6	0.000	-1.924	-0.033

	B1	B2	H3	H4	H5	H6
B1		1.5021	1.3963	1.3963	1.1757	2.6762
B2	1.5021		1.3963	1.3963	2.6762	1.1757
H3	1.3963	1.3963		1.8818	2.2320	2.2320
H4	1.3963	1.3963	1.8818		2.2320	2.2320
H5	1.1757	2.6762	2.2320	2.2320		3.8481
H6	2.6762	1.1757	2.2320	2.2320	3.8481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.460	B1	B2	H4	57.460
B1	B2	H6	176.138	B1	H3	B2	65.080
B1	H4	B2	65.080	B2	B1	H3	57.460
B2	B1	H4	57.460	B2	B1	H5	176.138
H3	B1	H4	84.735	H3	B1	H5	120.169
H3	B2	H4	84.735	H3	B2	H6	120.169
H4	B1	H5	120.169	H4	B2	H6	120.169

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

using model chemistry: MP2/LANL2DZ

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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