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	hartrees
Energy at 0K	-5167.674380
Energy at 298.15K
HF Energy	-5167.623018
Nuclear repulsion energy	424.954988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3478	3478	1.16
2	A₁	1747	1747	15.21
3	A₁	1288	1288	0.00
4	A₁	660	660	9.08
5	A₁	107	107	0.11
6	A₂	996	996	0.00
7	A₂	397	397	0.00
8	B₁	737	737	17.48
9	B₂	3455	3455	36.48
10	B₂	1441	1441	60.04
11	B₂	856	856	28.28
12	B₂	520	520	3.72

Atom	y (Å)	z (Å)
C1	0.674	1.252
C2	-0.674	1.252
Br3	1.773	-0.278
Br4	-1.773	-0.278
H5	1.209	2.213
H6	-1.209	2.213

	C1	C2	Br3	Br4	H5	H6
C1		1.3475	1.8838	2.8857	1.0999	2.1136
C2	1.3475		2.8857	1.8838	2.1136	1.0999
Br3	1.8838	2.8857		3.5466	2.5536	3.8853
Br4	2.8857	1.8838	3.5466		3.8853	2.5536
H5	1.0999	2.1136	2.5536	3.8853		2.4177
H6	2.1136	1.0999	3.8853	2.5536	2.4177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.712	C1	C2	H6	119.113
C2	C1	Br3	125.712	C2	C1	H5	119.113
Br3	C1	H5	115.175	Br4	C2	H6	115.175

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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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