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	hartrees
Energy at 0K	-5221.727293
Energy at 298.15K	-5221.735108
HF Energy	-5221.727293
Nuclear repulsion energy	427.844387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3382	3065	0.68
2	A₁	1786	1619	31.72
3	A₁	1291	1170	3.11
4	A₁	620	562	9.20
5	A₁	117	106	0.09
6	A₂	1054	955	0.00
7	A₂	422	382	0.00
8	B₁	775	703	62.67
9	B₂	3357	3043	17.26
10	B₂	1405	1274	62.80
11	B₂	819	742	61.77
12	B₂	508	460	3.59

Atom	y (Å)	z (Å)
C1	0.654	1.232
C2	-0.654	1.232
Br3	1.772	-0.273
Br4	-1.772	-0.273
H5	1.190	2.158
H6	-1.190	2.158

	C1	C2	Br3	Br4	H5	H6
C1		1.3079	1.8749	2.8550	1.0697	2.0634
C2	1.3079		2.8550	1.8749	2.0634	1.0697
Br3	1.8749	2.8550		3.5447	2.4991	3.8319
Br4	2.8550	1.8749	3.5447		3.8319	2.4991
H5	1.0697	2.0634	2.4991	3.8319		2.3803
H6	2.0634	1.0697	3.8319	2.4991	2.3803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.622	C1	C2	H6	120.084
C2	C1	Br3	126.622	C2	C1	H5	120.084
Br3	C1	H5	113.294	Br4	C2	H6	113.294

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

using model chemistry: HF/Def2TZVPP

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	-0.069
2	C	-0.069
3	Br	-0.034
4	Br	-0.034
5	H	0.103
6	H	0.103

	x	y	z	Total
	0.000	0.000	1.999	1.999
CHELPG
AIM
ESP

<r²>	289.889
(<r²>)^1/2	17.026