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	hartrees
Energy at 0K	-5222.606043
Energy at 298.15K	-5222.613658
HF Energy	-5221.712148
Nuclear repulsion energy	426.042697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3098	1.24
2	A₁	1662	1575	27.15
3	A₁	1215	1151	2.68
4	A₁	587	556	7.63
5	A₁	111	105	0.04
6	A₂	869	824	0.00
7	A₂	369	350	0.00
8	B₁	699	662	64.04
9	B₂	3246	3076	12.44
10	B₂	1320	1251	50.03
11	B₂	775	735	52.68
12	B₂	474	449	1.91

Atom	y (Å)	z (Å)
C1	0.663	1.252
C2	-0.663	1.252
Br3	1.770	-0.277
Br4	-1.770	-0.277
H5	1.209	2.182
H6	-1.209	2.182

	C1	C2	Br3	Br4	H5	H6
C1		1.3258	1.8873	2.8731	1.0792	2.0908
C2	1.3258		2.8731	1.8873	2.0908	1.0792
Br3	1.8873	2.8731		3.5396	2.5223	3.8631
Br4	2.8731	1.8873	3.5396		3.8631	2.5223
H5	1.0792	2.0908	2.5223	3.8631		2.4188
H6	2.0908	1.0792	3.8631	2.5223	2.4188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.909	C1	C2	H6	120.422
C2	C1	Br3	125.909	C2	C1	H5	120.422
Br3	C1	H5	113.670	Br4	C2	H6	113.670

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

using model chemistry: CCSD=FULL/TZVP

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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