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	hartrees
Energy at 0K	-5220.553650
Energy at 298.15K	-5220.561260
HF Energy	-5220.553650
Nuclear repulsion energy	431.039311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3114	1.16
2	A₁	1639	1571	35.40
3	A₁	1175	1127	1.78
4	A₁	594	570	10.52
5	A₁	113	108	0.04
6	A₂	889	853	0.00
7	A₂	379	364	0.00
8	B₁	696	668	62.22
9	B₂	3226	3093	11.71
10	B₂	1286	1233	42.03
11	B₂	763	731	64.06
12	B₂	474	455	3.67

Atom	y (Å)	z (Å)
C1	0.666	1.269
C2	-0.666	1.269
Br3	1.731	-0.280
Br4	-1.731	-0.280
H5	1.231	2.192
H6	-1.231	2.192

	C1	C2	Br3	Br4	H5	H6
C1		1.3323	1.8795	2.8539	1.0829	2.1101
C2	1.3323		2.8539	1.8795	2.1101	1.0829
Br3	1.8795	2.8539		3.4621	2.5226	3.8584
Br4	2.8539	1.8795	3.4621		3.8584	2.5226
H5	1.0829	2.1101	2.5226	3.8584		2.4618
H6	2.1101	1.0829	3.8584	2.5226	2.4618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.515	C1	C2	H6	121.438
C2	C1	Br3	124.515	C2	C1	H5	121.438
Br3	C1	H5	114.047	Br4	C2	H6	114.047

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

using model chemistry: TPSSh/6-31G**

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	-0.123
2	C	-0.123
3	Br	-0.057
4	Br	-0.057
5	H	0.180
6	H	0.180

	x	y	z	Total
	0.000	0.000	1.736	1.736
CHELPG
AIM
ESP

<r²>	281.428
(<r²>)^1/2	16.776