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	hartrees
Energy at 0K	-5220.227561
Energy at 298.15K	-5220.235147
HF Energy	-5220.227561
Nuclear repulsion energy	433.284358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3126	0.44
2	A₁	1588	1572	28.90
3	A₁	1139	1127	0.86
4	A₁	608	602	7.49
5	A₁	107	106	0.04
6	A₂	845	836	0.00
7	A₂	382	378	0.00
8	B₁	666	659	48.34
9	B₂	3137	3105	12.16
10	B₂	1236	1223	32.39
11	B₂	772	764	55.76
12	B₂	475	470	1.62

Atom	y (Å)	z (Å)
C1	0.670	1.250
C2	-0.670	1.250
Br3	1.726	-0.277
Br4	-1.726	-0.277
H5	1.227	2.188
H6	-1.227	2.188

	C1	C2	Br3	Br4	H5	H6
C1		1.3392	1.8570	2.8412	1.0913	2.1161
C2	1.3392		2.8412	1.8570	2.1161	1.0913
Br3	1.8570	2.8412		3.4526	2.5151	3.8470
Br4	2.8412	1.8570	3.4526		3.8470	2.5151
H5	1.0913	2.1161	2.5151	3.8470		2.4542
H6	2.1161	1.0913	3.8470	2.5151	2.4542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.684	C1	C2	H6	120.722
C2	C1	Br3	124.684	C2	C1	H5	120.722
Br3	C1	H5	114.595	Br4	C2	H6	114.595

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.238
2	C	-0.238
3	Br	0.083
4	Br	0.083
5	H	0.155
6	H	0.155

	x	y	z	Total
	0.000	0.000	1.564	1.564
CHELPG
AIM
ESP

<r²>	279.633
(<r²>)^1/2	16.722