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	hartrees
Energy at 0K	-5225.469590
Energy at 298.15K	-5225.477181
HF Energy	-5225.469590
Nuclear repulsion energy	426.498344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3103	2.72
2	A₁	1625	1566	38.99
3	A₁	1189	1145	1.72
4	A₁	587	565	9.24
5	A₁	105	101	0.03
6	A₂	880	848	0.00
7	A₂	377	363	0.00
8	B₁	684	658	77.71
9	B₂	3199	3082	10.86
10	B₂	1297	1249	47.58
11	B₂	762	734	76.34
12	B₂	476	458	2.69

Atom	y (Å)	z (Å)
C1	0.665	1.249
C2	-0.665	1.249
Br3	1.768	-0.276
Br4	-1.768	-0.276
H5	1.218	2.180
H6	-1.218	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3294	1.8825	2.8715	1.0827	2.1000
C2	1.3294		2.8715	1.8825	2.1000	1.0827
Br3	1.8825	2.8715		3.5364	2.5169	3.8663
Br4	2.8715	1.8825	3.5364		3.8663	2.5169
H5	1.0827	2.1000	2.5169	3.8663		2.4355
H6	2.1000	1.0827	3.8663	2.5169	2.4355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.886	C1	C2	H6	120.717
C2	C1	Br3	125.886	C2	C1	H5	120.717
Br3	C1	H5	113.397	Br4	C2	H6	113.397

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	-0.297
2	C	-0.297
3	Br	0.034
4	Br	0.034
5	H	0.263
6	H	0.263

	x	y	z	Total
	0.000	0.000	1.719	1.719
CHELPG
AIM
ESP

<r²>	290.009
(<r²>)^1/2	17.030