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	hartrees
Energy at 0K	-5200.565072
Energy at 298.15K	-5200.572743
HF Energy	-5200.565072
Nuclear repulsion energy	421.529271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3143	0.76
2	A₁	1678	1619	34.42
3	A₁	1213	1170	1.96
4	A₁	566	546	9.40
5	A₁	111	107	0.01
6	A₂	992	957	0.00
7	A₂	407	393	0.00
8	B₁	740	714	92.65
9	B₂	3232	3118	11.92
10	B₂	1325	1279	52.36
11	B₂	753	727	64.65
12	B₂	477	460	3.59

Atom	y (Å)	z (Å)
C1	0.660	1.275
C2	-0.660	1.275
Br3	1.785	-0.281
Br4	-1.785	-0.281
H5	1.218	2.201
H6	-1.218	2.201

	C1	C2	Br3	Br4	H5	H6
C1		1.3191	1.9211	2.8984	1.0810	2.0931
C2	1.3191		2.8984	1.9211	2.0931	1.0810
Br3	1.9211	2.8984		3.5709	2.5464	3.8963
Br4	2.8984	1.9211	3.5709		3.8963	2.5464
H5	1.0810	2.0931	2.5464	3.8963		2.4355
H6	2.0931	1.0810	3.8963	2.5464	2.4355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.878	C1	C2	H6	121.090
C2	C1	Br3	125.878	C2	C1	H5	121.090
Br3	C1	H5	113.032	Br4	C2	H6	113.032

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.438
2	C	-0.438
3	Br	0.179
4	Br	0.179
5	H	0.259
6	H	0.259

	x	y	z	Total
	0.000	0.000	1.593	1.593
CHELPG
AIM
ESP

<r²>	295.137
(<r²>)^1/2	17.180