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	hartrees
Energy at 0K	-5196.801700
Energy at 298.15K	-5196.809423
HF Energy	-5196.547744
Nuclear repulsion energy	419.386820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3079	2.06
2	A₁	1726	1608	20.30
3	A₁	1256	1170	2.59
4	A₁	567	528	6.90
5	A₁	114	106	0.03
6	A₂	1056	984	0.00
7	A₂	413	385	0.00
8	B₁	775	722	83.50
9	B₂	3277	3052	7.65
10	B₂	1376	1282	55.02
11	B₂	770	717	42.55
12	B₂	481	449	2.10

Atom	y (Å)	z (Å)
C1	0.659	1.277
C2	-0.659	1.277
Br3	1.798	-0.282
Br4	-1.798	-0.282
H5	1.211	2.205
H6	-1.211	2.205

	C1	C2	Br3	Br4	H5	H6
C1		1.3186	1.9302	2.9098	1.0795	2.0879
C2	1.3186		2.9098	1.9302	2.0879	1.0795
Br3	1.9302	2.9098		3.5956	2.5549	3.9034
Br4	2.9098	1.9302	3.5956		3.9034	2.5549
H5	1.0795	2.0879	2.5549	3.9034		2.4222
H6	2.0879	1.0795	3.9034	2.5549	2.4222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.145	C1	C2	H6	120.739
C2	C1	Br3	126.145	C2	C1	H5	120.739
Br3	C1	H5	113.116	Br4	C2	H6	113.116

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

using model chemistry: CID/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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