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	hartrees
Energy at 0K	-5199.498197
Energy at 298.15K	-5199.505879
HF Energy	-5199.406982
Nuclear repulsion energy	420.984196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3123	0.91
2	A₁	1672	1592	28.98
3	A₁	1228	1169	2.10
4	A₁	564	537	8.28
5	A₁	112	106	0.02
6	A₂	1009	961	0.00
7	A₂	407	388	0.00
8	B₁	750	714	89.85
9	B₂	3255	3098	11.02
10	B₂	1343	1279	54.26
11	B₂	757	720	57.26
12	B₂	477	454	3.18

Atom	y (Å)	z (Å)
C1	0.661	1.278
C2	-0.661	1.278
Br3	1.787	-0.282
Br4	-1.787	-0.282
H5	1.216	2.204
H6	-1.216	2.204

	C1	C2	Br3	Br4	H5	H6
C1		1.3215	1.9243	2.9029	1.0794	2.0925
C2	1.3215		2.9029	1.9243	2.0925	1.0794
Br3	1.9243	2.9029		3.5746	2.5507	3.8984
Br4	2.9029	1.9243	3.5746		3.8984	2.5507
H5	1.0794	2.0925	2.5507	3.8984		2.4315
H6	2.0925	1.0794	3.8984	2.5507	2.4315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.834	C1	C2	H6	120.941
C2	C1	Br3	125.834	C2	C1	H5	120.941
Br3	C1	H5	113.225	Br4	C2	H6	113.225

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

using model chemistry: B2PLYP=FULL/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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