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	hartrees
Energy at 0K	-5222.714486
Energy at 298.15K	-5222.722189
HF Energy	-5221.817186
Nuclear repulsion energy	433.700642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3111	0.08
2	A₁	1630	1548	26.97
3	A₁	1198	1137	1.69
4	A₁	622	590	6.49
5	A₁	110	105	0.03
6	A₂	933	886	0.00
7	A₂	397	377	0.00
8	B₁	717	681	59.97
9	B₂	3247	3083	18.43
10	B₂	1310	1244	36.93
11	B₂	791	751	51.73
12	B₂	487	463	1.25

Atom	y (Å)	z (Å)
C1	0.664	1.242
C2	-0.664	1.242
Br3	1.730	-0.275
Br4	-1.730	-0.275
H5	1.202	2.171
H6	-1.202	2.171

	C1	C2	Br3	Br4	H5	H6
C1		1.3283	1.8536	2.8340	1.0738	2.0850
C2	1.3283		2.8340	1.8536	2.0850	1.0738
Br3	1.8536	2.8340		3.4601	2.5019	3.8184
Br4	2.8340	1.8536	3.4601		3.8184	2.5019
H5	1.0738	2.0850	2.5019	3.8184		2.4047
H6	2.0850	1.0738	3.8184	2.5019	2.4047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.104	C1	C2	H6	120.082
C2	C1	Br3	125.104	C2	C1	H5	120.082
Br3	C1	H5	114.814	Br4	C2	H6	114.814

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

using model chemistry: MP2=FULL/cc-pVTZ

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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