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	hartrees
Energy at 0K	-5197.419594
Energy at 298.15K	-5197.427256
HF Energy	-5196.976601
Nuclear repulsion energy	430.283539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3100	0.51
2	A₁	1602	1524	23.03
3	A₁	1241	1180	1.34
4	A₁	607	577	9.72
5	A₁	115	109	0.02
6	A₂	916	871	0.00
7	A₂	382	363	0.00
8	B₁	718	683	70.29
9	B₂	3232	3075	11.80
10	B₂	1356	1290	32.04
11	B₂	784	746	46.33
12	B₂	479	456	2.58

Atom	y (Å)	z (Å)
C1	0.669	1.293
C2	-0.669	1.293
Br3	1.723	-0.285
Br4	-1.723	-0.285
H5	1.242	2.213
H6	-1.242	2.213

	C1	C2	Br3	Br4	H5	H6
C1		1.3386	1.8970	2.8654	1.0837	2.1210
C2	1.3386		2.8654	1.8970	2.1210	1.0837
Br3	1.8970	2.8654		3.4456	2.5436	3.8764
Br4	2.8654	1.8970	3.4456		3.8764	2.5436
H5	1.0837	2.1210	2.5436	3.8764		2.4834
H6	2.1210	1.0837	3.8764	2.5436	2.4834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	123.735	C1	C2	H6	121.885
C2	C1	Br3	123.735	C2	C1	H5	121.885
Br3	C1	H5	114.380	Br4	C2	H6	114.380

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

using model chemistry: MP2/3-21G*

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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