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	hartrees
Energy at 0K	-51.434292
Energy at 298.15K	-51.436775
HF Energy	-51.292484
Nuclear repulsion energy	24.589890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2884	2683	0.54
2	A₁	2028	1887	23.83
3	A₁	1374	1278	4.56
4	A₁	1157	1077	17.85
5	A₁	705	656	1.03
6	A₂	1240	1154	0.00
7	A₂	463	430	0.00
8	B₁	1996	1858	82.00
9	B₁	799	743	1.17
10	B₂	2837	2640	35.61
11	B₂	1301	1210	199.96
12	B₂	272	253	78.87

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.738	-0.113
B2	0.000	-0.738	-0.113
H3	0.925	0.000	0.570
H4	-0.925	0.000	0.570
H5	0.000	1.910	-0.003
H6	0.000	-1.910	-0.003

	B1	B2	H3	H4	H5	H6
B1		1.4754	1.3666	1.3666	1.1773	2.6499
B2	1.4754		1.3666	1.3666	2.6499	1.1773
H3	1.3666	1.3666		1.8504	2.1984	2.1984
H4	1.3666	1.3666	1.8504		2.1984	2.1984
H5	1.1773	2.6499	2.1984	2.1984		3.8198
H6	2.6499	1.1773	2.1984	2.1984	3.8198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.330	B1	B2	H4	57.330
B1	B2	H6	174.645	B1	H3	B2	65.339
B1	H4	B2	65.339	B2	B1	H3	57.330
B2	B1	H4	57.330	B2	B1	H5	174.645
H3	B1	H4	85.216	H3	B1	H5	119.389
H3	B2	H4	85.216	H3	B2	H6	119.389
H4	B1	H5	119.389	H4	B2	H6	119.389

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

using model chemistry: CID/3-21G*

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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