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	hartrees
Energy at 0K	-5224.947528
Energy at 298.15K	-5224.955177
HF Energy	-5224.947528
Nuclear repulsion energy	428.603013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3110	0.15
2	A₁	1659	1592	35.99
3	A₁	1185	1137	1.47
4	A₁	603	579	8.46
5	A₁	108	104	0.02
6	A₂	907	870	0.00
7	A₂	388	372	0.00
8	B₁	692	664	76.08
9	B₂	3220	3089	18.13
10	B₂	1287	1235	40.81
11	B₂	777	746	74.46
12	B₂	484	465	1.98

Atom	y (Å)	z (Å)
C1	0.663	1.241
C2	-0.663	1.241
Br3	1.760	-0.275
Br4	-1.760	-0.275
H5	1.211	2.174
H6	-1.211	2.174

	C1	C2	Br3	Br4	H5	H6
C1		1.3251	1.8710	2.8574	1.0828	2.0935
C2	1.3251		2.8574	1.8710	2.0935	1.0828
Br3	1.8710	2.8574		3.5200	2.5095	3.8504
Br4	2.8574	1.8710	3.5200		3.8504	2.5095
H5	1.0828	2.0935	2.5095	3.8504		2.4227
H6	2.0935	1.0828	3.8504	2.5095	2.4227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.913	C1	C2	H6	120.453
C2	C1	Br3	125.913	C2	C1	H5	120.453
Br3	C1	H5	113.634	Br4	C2	H6	113.634

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	-0.219
2	C	-0.219
3	Br	0.034
4	Br	0.034
5	H	0.184
6	H	0.184

	x	y	z	Total
	0.000	0.000	1.683	1.683
CHELPG
AIM
ESP

<r²>	287.579
(<r²>)^1/2	16.958