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	hartrees
Energy at 0K	-5222.987579
Energy at 298.15K	-5222.982083
HF Energy	-5216.815430
Nuclear repulsion energy	430.213556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3417	3417	2.58
2	A₁	1814	1814	30.72
3	A₁	1298	1298	3.32
4	A₁	635	635	11.45
5	A₁	121	121	0.09
6	A₂	1053	1053	0.00
7	A₂	423	423	0.00
8	B₁	787	787	62.40
9	B₂	3392	3392	13.83
10	B₂	1414	1414	58.85
11	B₂	831	831	63.70
12	B₂	512	512	3.87

Atom	y (Å)	z (Å)
C1	0.657	1.242
C2	-0.657	1.242
Br3	1.751	-0.275
Br4	-1.751	-0.275
H5	1.200	2.169
H6	-1.200	2.169

	C1	C2	Br3	Br4	H5	H6
C1		1.3146	1.8699	2.8460	1.0745	2.0761
C2	1.3146		2.8460	1.8699	2.0761	1.0745
Br3	1.8699	2.8460		3.5017	2.5053	3.8317
Br4	2.8460	1.8699	3.5017		3.8317	2.5053
H5	1.0745	2.0761	2.5053	3.8317		2.4005
H6	2.0761	1.0745	3.8317	2.5053	2.4005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.790	C1	C2	H6	120.351
C2	C1	Br3	125.790	C2	C1	H5	120.351
Br3	C1	H5	113.860	Br4	C2	H6	113.860

All results from a given calculation for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-)

using model chemistry: CBS-Q

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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