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	hartrees
Energy at 0K	-5223.178974
Energy at 298.15K	-5223.186653
HF Energy	-5221.640746
Nuclear repulsion energy	429.413268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3257	0.16
2	A₁	1664	1664	25.03
3	A₁	1205	1205	2.17
4	A₁	610	610	6.01
5	A₁	112	112	0.05
6	A₂	935	935	0.00
7	A₂	388	388	0.00
8	B₁	704	704	53.12
9	B₂	3234	3234	15.30
10	B₂	1315	1315	44.66
11	B₂	787	787	48.79
12	B₂	485	485	1.35

Atom	y (Å)	z (Å)
C1	0.663	1.240
C2	-0.663	1.240
Br3	1.756	-0.275
Br4	-1.756	-0.275
H5	1.203	2.173
H6	-1.203	2.173

	C1	C2	Br3	Br4	H5	H6
C1		1.3252	1.8679	2.8535	1.0786	2.0860
C2	1.3252		2.8535	1.8679	2.0860	1.0786
Br3	1.8679	2.8535		3.5116	2.5098	3.8402
Br4	2.8535	1.8679	3.5116		3.8402	2.5098
H5	1.0786	2.0860	2.5098	3.8402		2.4058
H6	2.0860	1.0786	3.8402	2.5098	2.4058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.822	C1	C2	H6	120.060
C2	C1	Br3	125.822	C2	C1	H5	120.060
Br3	C1	H5	114.118	Br4	C2	H6	114.118

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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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