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	hartrees
Energy at 0K	-5222.640255
Energy at 298.15K	-5222.647921
HF Energy	-5221.818731
Nuclear repulsion energy	430.143395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3108	0.19
2	A₁	1659	1586	25.52
3	A₁	1196	1144	2.25
4	A₁	606	579	6.32
5	A₁	110	106	0.05
6	A₂	923	882	0.00
7	A₂	384	367	0.00
8	B₁	702	671	53.04
9	B₂	3228	3086	15.18
10	B₂	1313	1255	44.76
11	B₂	781	746	46.63
12	B₂	482	460	1.69

Atom	y (Å)	z (Å)
C1	0.664	1.247
C2	-0.664	1.247
Br3	1.748	-0.276
Br4	-1.748	-0.276
H5	1.208	2.178
H6	-1.208	2.178

	C1	C2	Br3	Br4	H5	H6
C1		1.3271	1.8695	2.8520	1.0789	2.0908
C2	1.3271		2.8520	1.8695	2.0908	1.0789
Br3	1.8695	2.8520		3.4955	2.5128	3.8421
Br4	2.8520	1.8695	3.4955		3.8421	2.5128
H5	1.0789	2.0908	2.5128	3.8421		2.4167
H6	2.0908	1.0789	3.8421	2.5128	2.4167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.446	C1	C2	H6	120.329
C2	C1	Br3	125.446	C2	C1	H5	120.329
Br3	C1	H5	114.225	Br4	C2	H6	114.225

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

using model chemistry: CCSD/aug-cc-pVTZ

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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