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	hartrees
Energy at 0K	-5222.198017
Energy at 298.15K	-5222.205646
HF Energy	-5221.639813
Nuclear repulsion energy	424.861467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3082	1.54
2	A₁	1661	1573	25.56
3	A₁	1187	1125	2.46
4	A₁	596	565	7.35
5	A₁	110	104	0.04
6	A₂	902	855	0.00
7	A₂	376	356	0.00
8	B₁	696	660	55.82
9	B₂	3230	3060	11.83
10	B₂	1298	1229	45.21
11	B₂	773	732	49.69
12	B₂	476	451	1.62

Atom	y (Å)	z (Å)
C1	0.672	1.252
C2	-0.672	1.252
Br3	1.774	-0.278
Br4	-1.774	-0.278
H5	1.219	2.200
H6	-1.219	2.200

	C1	C2	Br3	Br4	H5	H6
C1		1.3432	1.8860	2.8851	1.0945	2.1151
C2	1.3432		2.8851	1.8860	2.1151	1.0945
Br3	1.8860	2.8851		3.5490	2.5389	3.8860
Br4	2.8851	1.8860	3.5490		3.8860	2.5389
H5	1.0945	2.1151	2.5389	3.8860		2.4388
H6	2.1151	1.0945	3.8860	2.5389	2.4388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.787	C1	C2	H6	120.035
C2	C1	Br3	125.787	C2	C1	H5	120.035
Br3	C1	H5	114.178	Br4	C2	H6	114.178

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

using model chemistry: CCSD/cc-pVDZ

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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