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	hartrees
Energy at 0K	-5201.348037
Energy at 298.15K	-5201.355752
HF Energy	-5201.348037
Nuclear repulsion energy	434.413346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3267	3102	0.32
2	A₁	1659	1575	30.77
3	A₁	1219	1157	0.87
4	A₁	630	598	8.45
5	A₁	113	107	0.01
6	A₂	961	912	0.00
7	A₂	401	381	0.00
8	B₁	723	686	86.30
9	B₂	3242	3078	13.74
10	B₂	1340	1273	28.71
11	B₂	796	755	57.74
12	B₂	493	468	1.42

Atom	y (Å)	z (Å)
C1	0.663	1.276
C2	-0.663	1.276
Br3	1.708	-0.281
Br4	-1.708	-0.281
H5	1.233	2.196
H6	-1.233	2.196

	C1	C2	Br3	Br4	H5	H6
C1		1.3267	1.8753	2.8370	1.0818	2.1073
C2	1.3267		2.8370	1.8753	2.1073	1.0818
Br3	1.8753	2.8370		3.4158	2.5226	3.8450
Br4	2.8370	1.8753	3.4158		3.8450	2.5226
H5	1.0818	2.1073	2.5226	3.8450		2.4651
H6	2.1073	1.0818	3.8450	2.5226	2.4651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	123.849	C1	C2	H6	121.746
C2	C1	Br3	123.849	C2	C1	H5	121.746
Br3	C1	H5	114.405	Br4	C2	H6	114.405

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

using model chemistry: mPW1PW91/3-21G*

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	-0.282
2	C	-0.282
3	Br	0.009
4	Br	0.009
5	H	0.273
6	H	0.273

	x	y	z	Total
	0.000	0.000	1.520	1.520
CHELPG
AIM
ESP

<r²>	275.922
(<r²>)^1/2	16.611