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	hartrees
Energy at 0K	-5197.382248
Energy at 298.15K	-5197.389987
HF Energy	-5196.977696
Nuclear repulsion energy	430.329151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3082	1.04
2	A₁	1707	1588	21.77
3	A₁	1271	1183	1.99
4	A₁	617	574	8.77
5	A₁	117	109	0.04
6	A₂	994	925	0.00
7	A₂	398	371	0.00
8	B₁	750	698	71.38
9	B₂	3284	3056	11.80
10	B₂	1392	1295	35.68
11	B₂	803	748	44.77
12	B₂	491	457	2.17

Atom	y (Å)	z (Å)
C1	0.662	1.280
C2	-0.662	1.280
Br3	1.730	-0.282
Br4	-1.730	-0.282
H5	1.229	2.199
H6	-1.229	2.199

	C1	C2	Br3	Br4	H5	H6
C1		1.3241	1.8927	2.8571	1.0790	2.1021
C2	1.3241		2.8571	1.8927	2.1021	1.0790
Br3	1.8927	2.8571		3.4596	2.5310	3.8612
Br4	2.8571	1.8927	3.4596		3.8612	2.5310
H5	1.0790	2.1021	2.5310	3.8612		2.4579
H6	2.1021	1.0790	3.8612	2.5310	2.4579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.342	C1	C2	H6	121.695
C2	C1	Br3	124.342	C2	C1	H5	121.695
Br3	C1	H5	113.963	Br4	C2	H6	113.963

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

using model chemistry: CID/3-21G*

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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