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	hartrees
Energy at 0K	-5222.455366
Energy at 298.15K	-5222.462963
HF Energy	-5221.712077
Nuclear repulsion energy	426.056276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3120	1.29
2	A₁	1660	1584	27.14
3	A₁	1212	1157	2.68
4	A₁	586	559	7.86
5	A₁	111	106	0.04
6	A₂	852	813	0.00
7	A₂	364	347	0.00
8	B₁	691	660	63.95
9	B₂	3246	3098	12.42
10	B₂	1318	1258	50.24
11	B₂	773	738	52.69
12	B₂	472	451	2.04

Atom	y (Å)	z (Å)
C1	0.663	1.252
C2	-0.663	1.252
Br3	1.769	-0.277
Br4	-1.769	-0.277
H5	1.211	2.183
H6	-1.211	2.183

	C1	C2	Br3	Br4	H5	H6
C1		1.3268	1.8874	2.8736	1.0799	2.0929
C2	1.3268		2.8736	1.8874	2.0929	1.0799
Br3	1.8874	2.8736		3.5385	2.5228	3.8646
Br4	2.8736	1.8874	3.5385		3.8646	2.5228
H5	1.0799	2.0929	2.5228	3.8646		2.4222
H6	2.0929	1.0799	3.8646	2.5228	2.4222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.866	C1	C2	H6	120.472
C2	C1	Br3	125.866	C2	C1	H5	120.472
Br3	C1	H5	113.662	Br4	C2	H6	113.662

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

using model chemistry: CCSD/TZVP

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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