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	hartrees
Energy at 0K	-5224.924265
Energy at 298.15K
HF Energy	-5224.508364
Nuclear repulsion energy	425.785445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3244	1.86
2	A₁	1630	1630	32.58
3	A₁	1206	1206	1.67
4	A₁	584	584	8.38
5	A₁	109	109	0.02
6	A₂	889	889	0.00
7	A₂	378	378	0.00
8	B₁	688	688	76.03
9	B₂	3223	3223	13.55
10	B₂	1309	1309	44.25
11	B₂	767	767	70.50
12	B₂	475	475	2.69

Atom	y (Å)	z (Å)
C1	0.665	1.247
C2	-0.665	1.247
Br3	1.773	-0.276
Br4	-1.773	-0.276
H5	1.212	2.180
H6	-1.212	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3295	1.8840	2.8749	1.0815	2.0959
C2	1.3295		2.8749	1.8840	2.0959	1.0815
Br3	1.8840	2.8749		3.5466	2.5195	3.8660
Br4	2.8749	1.8840	3.5466		3.8660	2.5195
H5	1.0815	2.0959	2.5195	3.8660		2.4242
H6	2.0959	1.0815	3.8660	2.5195	2.4242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.042	C1	C2	H6	120.403
C2	C1	Br3	126.042	C2	C1	H5	120.403
Br3	C1	H5	113.554	Br4	C2	H6	113.554

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

using model chemistry: B2PLYP=FULLultrafine/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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