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	hartrees
Energy at 0K	-5222.469169
Energy at 298.15K	-5222.476946
HF Energy	-5221.727034
Nuclear repulsion energy	431.357746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3356	3356	0.13
2	A₁	1744	1744	27.85
3	A₁	1248	1248	2.46
4	A₁	630	630	7.27
5	A₁	115	115	0.06
6	A₂	1004	1004	0.00
7	A₂	410	410	0.00
8	B₁	750	750	59.03
9	B₂	3332	3332	17.88
10	B₂	1362	1362	47.85
11	B₂	816	816	53.50
12	B₂	504	504	1.85

Atom	y (Å)	z (Å)
C1	0.657	1.232
C2	-0.657	1.232
Br3	1.749	-0.273
Br4	-1.749	-0.273
H5	1.193	2.159
H6	-1.193	2.159

	C1	C2	Br3	Br4	H5	H6
C1		1.3135	1.8598	2.8381	1.0706	2.0687
C2	1.3135		2.8381	1.8598	2.0687	1.0706
Br3	1.8598	2.8381		3.4990	2.4947	3.8171
Br4	2.8381	1.8598	3.4990		3.8171	2.4947
H5	1.0706	2.0687	2.4947	3.8171		2.3855
H6	2.0687	1.0706	3.8171	2.4947	2.3855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.984	C1	C2	H6	120.042
C2	C1	Br3	125.984	C2	C1	H5	120.042
Br3	C1	H5	113.974	Br4	C2	H6	113.974

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

using model chemistry: CISD/Def2TZVPP

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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