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	hartrees
Energy at 0K	-5222.085218
Energy at 298.15K	-5222.092937
HF Energy	-5221.617647
Nuclear repulsion energy	427.411418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	3086	1.89
2	A₁	1725	1603	26.51
3	A₁	1255	1166	1.95
4	A₁	613	570	7.71
5	A₁	115	107	0.04
6	A₂	956	888	0.00
7	A₂	394	366	0.00
8	B₁	728	677	74.95
9	B₂	3298	3064	14.35
10	B₂	1363	1266	45.03
11	B₂	805	748	60.93
12	B₂	495	460	1.74

Atom	y (Å)	z (Å)
C1	0.661	1.238
C2	-0.661	1.238
Br3	1.769	-0.274
Br4	-1.769	-0.274
H5	1.201	2.171
H6	-1.201	2.171

	C1	C2	Br3	Br4	H5	H6
C1		1.3225	1.8744	2.8621	1.0784	2.0833
C2	1.3225		2.8621	1.8744	2.0833	1.0784
Br3	1.8744	2.8621		3.5377	2.5107	3.8474
Br4	2.8621	1.8744	3.5377		3.8474	2.5107
H5	1.0784	2.0833	2.5107	3.8474		2.4023
H6	2.0833	1.0784	3.8474	2.5107	2.4023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.222	C1	C2	H6	120.042
C2	C1	Br3	126.222	C2	C1	H5	120.042
Br3	C1	H5	113.736	Br4	C2	H6	113.736

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

using model chemistry: CID/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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