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	hartrees
Energy at 0K	-5224.943862
Energy at 298.15K	-5224.951501
HF Energy	-5224.943862
Nuclear repulsion energy	428.407603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3109	1.28
2	A₁	1663	1594	35.96
3	A₁	1197	1147	1.31
4	A₁	603	578	8.40
5	A₁	108	104	0.02
6	A₂	901	864	0.00
7	A₂	387	371	0.00
8	B₁	690	661	79.54
9	B₂	3222	3088	14.00
10	B₂	1300	1246	41.07
11	B₂	779	747	74.53
12	B₂	485	465	1.95

Atom	y (Å)	z (Å)
C1	0.663	1.240
C2	-0.663	1.240
Br3	1.761	-0.275
Br4	-1.761	-0.275
H5	1.210	2.174
H6	-1.210	2.174

	C1	C2	Br3	Br4	H5	H6
C1		1.3251	1.8712	2.8582	1.0833	2.0931
C2	1.3251		2.8582	1.8712	2.0931	1.0833
Br3	1.8712	2.8582		3.5229	2.5104	3.8509
Br4	2.8582	1.8712	3.5229		3.8509	2.5104
H5	1.0833	2.0931	2.5104	3.8509		2.4205
H6	2.0931	1.0833	3.8509	2.5104	2.4205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.964	C1	C2	H6	120.372
C2	C1	Br3	125.964	C2	C1	H5	120.372
Br3	C1	H5	113.664	Br4	C2	H6	113.664

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

using model chemistry: PBE1PBE/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	-0.323
2	C	-0.323
3	Br	0.045
4	Br	0.045
5	H	0.278
6	H	0.278

	x	y	z	Total
	0.000	0.000	1.694	1.694
CHELPG
AIM
ESP

<r²>	287.907
(<r²>)^1/2	16.968