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	hartrees
Energy at 0K	-5222.612458
Energy at 298.15K	-5222.620141
HF Energy	-5221.726728
Nuclear repulsion energy	429.696000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3264	0.38
2	A₁	1672	1672	24.63
3	A₁	1204	1204	2.46
4	A₁	611	611	6.60
5	A₁	111	111	0.05
6	A₂	941	941	0.00
7	A₂	389	389	0.00
8	B₁	714	714	56.20
9	B₂	3240	3240	14.49
10	B₂	1318	1318	42.50
11	B₂	791	791	45.84
12	B₂	487	487	1.56

Atom	y (Å)	z (Å)
C1	0.663	1.244
C2	-0.663	1.244
Br3	1.752	-0.275
Br4	-1.752	-0.275
H5	1.205	2.176
H6	-1.205	2.176

	C1	C2	Br3	Br4	H5	H6
C1		1.3256	1.8694	2.8530	1.0781	2.0875
C2	1.3256		2.8530	1.8694	2.0875	1.0781
Br3	1.8694	2.8530		3.5042	2.5113	3.8410
Br4	2.8530	1.8694	3.5042		3.8410	2.5113
H5	1.0781	2.0875	2.5113	3.8410		2.4105
H6	2.0875	1.0781	3.8410	2.5113	2.4105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.640	C1	C2	H6	120.208
C2	C1	Br3	125.640	C2	C1	H5	120.208
Br3	C1	H5	114.152	Br4	C2	H6	114.152

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

using model chemistry: CCD/Def2TZVPP

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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