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	hartrees
Energy at 0K	-5225.695528
Energy at 298.15K	-5225.703109
HF Energy	-5225.695528
Nuclear repulsion energy	423.963093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3108	2.10
2	A₁	1632	1577	36.89
3	A₁	1195	1155	1.99
4	A₁	570	551	8.98
5	A₁	107	103	0.02
6	A₂	892	862	0.00
7	A₂	381	368	0.00
8	B₁	683	660	76.09
9	B₂	3194	3087	12.44
10	B₂	1295	1251	47.36
11	B₂	753	727	75.78
12	B₂	469	453	3.58

Atom	y (Å)	z (Å)
C1	0.663	1.248
C2	-0.663	1.248
Br3	1.784	-0.276
Br4	-1.784	-0.276
H5	1.213	2.180
H6	-1.213	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3254	1.8920	2.8826	1.0825	2.0943
C2	1.3254		2.8826	1.8920	2.0943	1.0825
Br3	1.8920	2.8826		3.5685	2.5219	3.8748
Br4	2.8826	1.8920	3.5685		3.8748	2.5219
H5	1.0825	2.0943	2.5219	3.8748		2.4251
H6	2.0943	1.0825	3.8748	2.5219	2.4251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.354	C1	C2	H6	120.527
C2	C1	Br3	126.354	C2	C1	H5	120.527
Br3	C1	H5	113.119	Br4	C2	H6	113.119

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

using model chemistry: B3LYPultrafine/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	-0.297
2	C	-0.297
3	Br	0.035
4	Br	0.035
5	H	0.262
6	H	0.262

	x	y	z	Total
	0.000	0.000	1.710	1.710
CHELPG
AIM
ESP

<r²>	294.084
(<r²>)^1/2	17.149