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	hartrees
Energy at 0K	-5221.641266
Energy at 298.15K	-5221.649083
HF Energy	-5221.641266
Nuclear repulsion energy	427.863589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3377	3069	0.27
2	A₁	1781	1619	31.70
3	A₁	1291	1173	2.88
4	A₁	621	564	8.84
5	A₁	118	107	0.09
6	A₂	1051	955	0.00
7	A₂	420	382	0.00
8	B₁	773	703	60.61
9	B₂	3352	3046	18.88
10	B₂	1403	1275	64.24
11	B₂	819	744	61.97
12	B₂	508	461	3.52

Atom	y (Å)	z (Å)
C1	0.654	1.232
C2	-0.654	1.232
Br3	1.770	-0.273
Br4	-1.770	-0.273
H5	1.190	2.159
H6	-1.190	2.159

	C1	C2	Br3	Br4	H5	H6
C1		1.3078	1.8740	2.8535	1.0703	2.0635
C2	1.3078		2.8535	1.8740	2.0635	1.0703
Br3	1.8740	2.8535		3.5406	2.4998	3.8309
Br4	2.8535	1.8740	3.5406		3.8309	2.4998
H5	1.0703	2.0635	2.4998	3.8309		2.3801
H6	2.0635	1.0703	3.8309	2.4998	2.3801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.564	C1	C2	H6	120.062
C2	C1	Br3	126.564	C2	C1	H5	120.062
Br3	C1	H5	113.374	Br4	C2	H6	113.374

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.070
2	C	-0.070
3	Br	-0.077
4	Br	-0.077
5	H	0.148
6	H	0.148

	x	y	z	Total
	0.000	0.000	1.976	1.976
CHELPG
AIM
ESP

<r²>	289.985
(<r²>)^1/2	17.029