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	hartrees
Energy at 0K	-51.978892
Energy at 298.15K
HF Energy	-51.900026
Nuclear repulsion energy	24.834946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2852	2852	0.04
2	A₁	2103	2103	20.75
3	A₁	1363	1363	3.17
4	A₁	1129	1129	3.87
5	A₁	739	739	3.59
6	A₂	1280	1280	0.00
7	A₂	643	643	0.00
8	B₁	2105	2105	52.83
9	B₁	806	806	2.04
10	B₂	2813	2813	33.99
11	B₂	1358	1358	201.73
12	B₂	536	536	40.04

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.731	-0.114
B2	0.000	-0.731	-0.114
H3	0.901	0.000	0.573
H4	-0.901	0.000	0.573
H5	0.000	1.896	-0.002
H6	0.000	-1.896	-0.002

	B1	B2	H3	H4	H5	H6
B1		1.4623	1.3488	1.3488	1.1699	2.6292
B2	1.4623		1.3488	1.3488	2.6292	1.1699
H3	1.3488	1.3488		1.8026	2.1765	2.1765
H4	1.3488	1.3488	1.8026		2.1765	2.1765
H5	1.1699	2.6292	2.1765	2.1765		3.7914
H6	2.6292	1.1699	2.1765	2.1765	3.7914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.176	B1	B2	H4	57.176
B1	B2	H6	174.518	B1	H3	B2	65.648
B1	H4	B2	65.648	B2	B1	H3	57.176
B2	B1	H4	57.176	B2	B1	H5	174.518
H3	B1	H4	83.855	H3	B1	H5	119.400
H3	B2	H4	83.855	H3	B2	H6	119.400
H4	B1	H5	119.400	H4	B2	H6	119.400

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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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