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	hartrees
Energy at 0K	-5222.961737
Energy at 298.15K	-5222.969366
HF Energy	-5221.616770
Nuclear repulsion energy	428.232416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3086	0.94
2	A₁	1623	1537	26.56
3	A₁	1215	1150	1.03
4	A₁	607	575	7.50
5	A₁	112	106	0.02
6	A₂	872	826	0.00
7	A₂	373	353	0.00
8	B₁	689	652	77.47
9	B₂	3237	3065	16.12
10	B₂	1317	1248	35.32
11	B₂	787	746	61.09
12	B₂	483	458	1.49

Atom	y (Å)	z (Å)
C1	0.669	1.244
C2	-0.669	1.244
Br3	1.760	-0.276
Br4	-1.760	-0.276
H5	1.211	2.182
H6	-1.211	2.182

	C1	C2	Br3	Br4	H5	H6
C1		1.3371	1.8709	2.8646	1.0838	2.1010
C2	1.3371		2.8646	1.8709	2.1010	1.0838
Br3	1.8709	2.8646		3.5195	2.5182	3.8560
Br4	2.8646	1.8709	3.5195		3.8560	2.5182
H5	1.0838	2.1010	2.5182	3.8560		2.4229
H6	2.1010	1.0838	3.8560	2.5182	2.4229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.679	C1	C2	H6	120.061
C2	C1	Br3	125.679	C2	C1	H5	120.061
Br3	C1	H5	114.260	Br4	C2	H6	114.260

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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