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	hartrees
Energy at 0K	-51.863099
Energy at 298.15K	-51.866032
HF Energy	-51.613731
Nuclear repulsion energy	24.839449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2882	2725	0.38
2	A₁	2150	2032	13.71
3	A₁	1378	1303	1.96
4	A₁	1161	1098	1.58
5	A₁	753	712	0.90
6	A₂	1331	1258	0.00
7	A₂	672	636	0.00
8	B₁	2148	2031	54.92
9	B₁	820	775	2.25
10	B₂	2842	2687	25.63
11	B₂	1411	1334	206.22
12	B₂	550	520	29.24

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.732	-0.116
B2	0.000	-0.732	-0.116
H3	0.897	0.000	0.570
H4	-0.897	0.000	0.570
H5	0.000	1.897	0.010
H6	0.000	-1.897	0.010

	B1	B2	H3	H4	H5	H6
B1		1.4640	1.3453	1.3453	1.1717	2.6320
B2	1.4640		1.3453	1.3453	2.6320	1.1717
H3	1.3453	1.3453		1.7932	2.1715	2.1715
H4	1.3453	1.3453	1.7932		2.1715	2.1715
H5	1.1717	2.6320	2.1715	2.1715		3.7938
H6	2.6320	1.1717	2.1715	2.1715	3.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.035	B1	B2	H4	57.035
B1	B2	H6	173.823	B1	H3	B2	65.930
B1	H4	B2	65.930	B2	B1	H3	57.035
B2	B1	H4	57.035	B2	B1	H5	173.823
H3	B1	H4	83.590	H3	B1	H5	119.086
H3	B2	H4	83.590	H3	B2	H6	119.086
H4	B1	H5	119.086	H4	B2	H6	119.086

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

using model chemistry: CCSD/6-31G(2df,p)

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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