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	hartrees
Energy at 0K	-5217.173036
Energy at 298.15K	-5217.180656
HF Energy	-5216.646218
Nuclear repulsion energy	428.495925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	3113	1.84
2	A₁	1672	1574	23.39
3	A₁	1210	1139	3.22
4	A₁	586	551	8.83
5	A₁	118	111	0.05
6	A₂	906	853	0.00
7	A₂	370	348	0.00
8	B₁	709	668	53.33
9	B₂	3284	3092	11.13
10	B₂	1324	1246	43.39
11	B₂	769	724	45.77
12	B₂	470	442	2.85

Atom	y (Å)	z (Å)
C1	0.667	1.273
C2	-0.667	1.273
Br3	1.744	-0.281
Br4	-1.744	-0.281
H5	1.224	2.198
H6	-1.224	2.198

	C1	C2	Br3	Br4	H5	H6
C1		1.3335	1.8911	2.8683	1.0796	2.1049
C2	1.3335		2.8683	1.8911	2.1049	1.0796
Br3	1.8911	2.8683		3.4874	2.5329	3.8671
Br4	2.8683	1.8911	3.4874		3.8671	2.5329
H5	1.0796	2.1049	2.5329	3.8671		2.4484
H6	2.1049	1.0796	3.8671	2.5329	2.4484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.713	C1	C2	H6	121.088
C2	C1	Br3	124.713	C2	C1	H5	121.088
Br3	C1	H5	114.199	Br4	C2	H6	114.199

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

using model chemistry: QCISD/6-31G**

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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