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	hartrees
Energy at 0K	-5224.944286
Energy at 298.15K	-5224.951824
HF Energy	-5224.944286
Nuclear repulsion energy	426.332646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3123	0.17
2	A₁	1580	1569	36.36
3	A₁	1133	1125	1.26
4	A₁	575	571	7.71
5	A₁	102	101	0.02
6	A₂	849	844	0.00
7	A₂	374	372	0.00
8	B₁	656	652	60.58
9	B₂	3123	3102	15.90
10	B₂	1234	1225	41.32
11	B₂	739	734	67.47
12	B₂	465	461	2.78

Atom	y (Å)	z (Å)
C1	0.666	1.250
C2	-0.666	1.250
Br3	1.768	-0.277
Br4	-1.768	-0.277
H5	1.222	2.186
H6	-1.222	2.186

	C1	C2	Br3	Br4	H5	H6
C1		1.3327	1.8826	2.8734	1.0887	2.1077
C2	1.3327		2.8734	1.8826	2.1077	1.0887
Br3	1.8826	2.8734		3.5360	2.5227	3.8737
Br4	2.8734	1.8826	3.5360		3.8737	2.5227
H5	1.0887	2.1077	2.5227	3.8737		2.4439
H6	2.1077	1.0887	3.8737	2.5227	2.4439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.815	C1	C2	H6	120.686
C2	C1	Br3	125.815	C2	C1	H5	120.686
Br3	C1	H5	113.499	Br4	C2	H6	113.499

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	-0.138
2	C	-0.138
3	Br	0.000
4	Br	0.000
5	H	0.138
6	H	0.138

	x	y	z	Total
	0.000	0.000	1.565	1.565
CHELPG
AIM
ESP

<r²>	290.256
(<r²>)^1/2	17.037