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	hartrees
Energy at 0K	-5196.830304
Energy at 298.15K	-5196.837961
HF Energy	-5196.546825
Nuclear repulsion energy	417.473302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3151	3.30
2	A₁	1672	1626	18.77
3	A₁	1230	1196	2.54
4	A₁	551	535	5.92
5	A₁	111	108	0.03
6	A₂	1016	988	0.00
7	A₂	398	387	0.00
8	B₁	750	729	77.18
9	B₂	3214	3125	4.94
10	B₂	1353	1316	46.63
11	B₂	752	731	36.24
12	B₂	468	455	1.68

Atom	y (Å)	z (Å)
C1	0.663	1.284
C2	-0.663	1.284
Br3	1.805	-0.284
Br4	-1.805	-0.284
H5	1.218	2.216
H6	-1.218	2.216

	C1	C2	Br3	Br4	H5	H6
C1		1.3270	1.9395	2.9244	1.0845	2.0999
C2	1.3270		2.9244	1.9395	2.0999	1.0845
Br3	1.9395	2.9244		3.6101	2.5676	3.9230
Br4	2.9244	1.9395	3.6101		3.9230	2.5676
H5	1.0845	2.0999	2.5676	3.9230		2.4368
H6	2.0999	1.0845	3.9230	2.5676	2.4368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.057	C1	C2	H6	120.778
C2	C1	Br3	126.057	C2	C1	H5	120.778
Br3	C1	H5	113.165	Br4	C2	H6	113.165

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

using model chemistry: CCD/3-21G

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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