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	hartrees
Energy at 0K	-5223.014076
Energy at 298.15K	-5223.021792
HF Energy	-5221.827917
Nuclear repulsion energy	436.838660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3124	0.02
2	A₁	1627	1556	27.46
3	A₁	1176	1125	1.55
4	A₁	636	609	6.13
5	A₁	114	109	0.03
6	A₂	943	902	0.00
7	A₂	396	379	0.00
8	B₁	710	679	55.72
9	B₂	3246	3105	18.79
10	B₂	1296	1239	35.77
11	B₂	800	765	48.74
12	B₂	493	472	1.25

Atom	y (Å)	z (Å)
C1	0.664	1.245
C2	-0.664	1.245
Br3	1.710	-0.276
Br4	-1.710	-0.276
H5	1.206	2.175
H6	-1.206	2.175

	C1	C2	Br3	Br4	H5	H6
C1		1.3271	1.8460	2.8189	1.0763	2.0877
C2	1.3271		2.8189	1.8460	2.0877	1.0763
Br3	1.8460	2.8189		3.4198	2.5021	3.8087
Br4	2.8189	1.8460	3.4198		3.8087	2.5021
H5	1.0763	2.0877	2.5021	3.8087		2.4112
H6	2.0877	1.0763	3.8087	2.5021	2.4112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.528	C1	C2	H6	120.239
C2	C1	Br3	124.528	C2	C1	H5	120.239
Br3	C1	H5	115.233	Br4	C2	H6	115.233

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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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