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	hartrees
Energy at 0K	-5199.804467
Energy at 298.15K	-5199.812195
HF Energy	-5199.804467
Nuclear repulsion energy	425.307886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3160	0.10
2	A₁	1703	1640	33.61
3	A₁	1217	1172	1.20
4	A₁	591	570	9.22
5	A₁	113	109	0.01
6	A₂	1009	972	0.00
7	A₂	415	400	0.00
8	B₁	754	726	104.40
9	B₂	3254	3135	14.19
10	B₂	1330	1282	44.69
11	B₂	772	744	65.11
12	B₂	492	474	2.32

Atom	y (Å)	z (Å)
C1	0.659	1.271
C2	-0.659	1.271
Br3	1.764	-0.281
Br4	-1.764	-0.281
H5	1.216	2.199
H6	-1.216	2.199

	C1	C2	Br3	Br4	H5	H6
C1		1.3180	1.9054	2.8777	1.0816	2.0916
C2	1.3180		2.8777	1.9054	2.0916	1.0816
Br3	1.9054	2.8777		3.5287	2.5393	3.8766
Br4	2.8777	1.9054	3.5287		3.8766	2.5393
H5	1.0816	2.0916	2.5393	3.8766		2.4315
H6	2.0916	1.0816	3.8766	2.5393	2.4315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.458	C1	C2	H6	120.979
C2	C1	Br3	125.458	C2	C1	H5	120.979
Br3	C1	H5	113.562	Br4	C2	H6	113.562

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

using model chemistry: HSEh1PBE/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	-0.486
2	C	-0.486
3	Br	0.199
4	Br	0.199
5	H	0.287
6	H	0.287

	x	y	z	Total
	0.000	0.000	1.623	1.623
CHELPG
AIM
ESP

<r²>	289.742
(<r²>)^1/2	17.022