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	hartrees
Energy at 0K	-5217.837757
Energy at 298.15K	-5217.845503
HF Energy	-5217.012613
Nuclear repulsion energy	438.049317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3094	0.36
2	A₁	1680	1582	19.07
3	A₁	1215	1144	1.36
4	A₁	642	605	6.29
5	A₁	119	112	0.06
6	A₂	939	884	0.00
7	A₂	402	379	0.00
8	B₁	720	678	47.15
9	B₂	3263	3073	13.66
10	B₂	1321	1244	32.40
11	B₂	822	774	41.05
12	B₂	496	467	0.86

Atom	y (Å)	z (Å)
C1	0.664	1.241
C2	-0.664	1.241
Br3	1.705	-0.275
Br4	-1.705	-0.275
H5	1.207	2.174
H6	-1.207	2.174

	C1	C2	Br3	Br4	H5	H6
C1		1.3272	1.8390	2.8121	1.0796	2.0905
C2	1.3272		2.8121	1.8390	2.0905	1.0796
Br3	1.8390	2.8121		3.4099	2.4986	3.8048
Br4	2.8121	1.8390	3.4099		3.8048	2.4986
H5	1.0796	2.0905	2.4986	3.8048		2.4145
H6	2.0905	1.0796	3.8048	2.4986	2.4145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.490	C1	C2	H6	120.233
C2	C1	Br3	124.490	C2	C1	H5	120.233
Br3	C1	H5	115.277	Br4	C2	H6	115.277

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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