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	hartrees
Energy at 0K	-5222.114824
Energy at 298.15K	-5222.122545
HF Energy	-5221.640734
Nuclear repulsion energy	426.773283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3334	3074	0.73
2	A₁	1730	1595	28.06
3	A₁	1224	1128	2.41
4	A₁	614	566	8.23
5	A₁	113	104	0.05
6	A₂	961	886	0.00
7	A₂	396	365	0.00
8	B₁	730	673	59.83
9	B₂	3310	3051	15.66
10	B₂	1334	1229	48.72
11	B₂	796	734	56.09
12	B₂	493	454	1.94

Atom	y (Å)	z (Å)
C1	0.665	1.243
C2	-0.665	1.243
Br3	1.769	-0.275
Br4	-1.769	-0.275
H5	1.208	2.185
H6	-1.208	2.185

	C1	C2	Br3	Br4	H5	H6
C1		1.3309	1.8768	2.8690	1.0874	2.0973
C2	1.3309		2.8690	1.8768	2.0973	1.0874
Br3	1.8768	2.8690		3.5382	2.5234	3.8623
Br4	2.8690	1.8768	3.5382		3.8623	2.5234
H5	1.0874	2.0973	2.5234	3.8623		2.4165
H6	2.0973	1.0874	3.8623	2.5234	2.4165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.018	C1	C2	H6	119.946
C2	C1	Br3	126.018	C2	C1	H5	119.946
Br3	C1	H5	114.036	Br4	C2	H6	114.036

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

using model chemistry: CISD/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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