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	hartrees
Energy at 0K	-5222.976799
Energy at 298.15K	-5222.984437
HF Energy	-5221.620577
Nuclear repulsion energy	428.313407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3096	0.94
2	A₁	1619	1536	28.18
3	A₁	1201	1139	2.04
4	A₁	608	576	7.34
5	A₁	112	106	0.02
6	A₂	878	833	0.00
7	A₂	372	353	0.00
8	B₁	689	653	68.81
9	B₂	3241	3075	16.19
10	B₂	1301	1235	38.49
11	B₂	787	746	59.37
12	B₂	483	458	1.33

Atom	y (Å)	z (Å)
C1	0.669	1.243
C2	-0.669	1.243
Br3	1.760	-0.275
Br4	-1.760	-0.275
H5	1.209	2.182
H6	-1.209	2.182

	C1	C2	Br3	Br4	H5	H6
C1		1.3377	1.8694	2.8642	1.0834	2.0995
C2	1.3377		2.8642	1.8694	2.0995	1.0834
Br3	1.8694	2.8642		3.5201	2.5183	3.8538
Br4	2.8642	1.8694	3.5201		3.8538	2.5183
H5	1.0834	2.0995	2.5183	3.8538		2.4175
H6	2.0995	1.0834	3.8538	2.5183	2.4175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.712	C1	C2	H6	119.891
C2	C1	Br3	125.712	C2	C1	H5	119.891
Br3	C1	H5	114.397	Br4	C2	H6	114.397

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

using model chemistry: MP2=FULL/6-311G**

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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