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	hartrees
Energy at 0K	-5220.734144
Energy at 298.15K	-5220.741766
HF Energy	-5220.734144
Nuclear repulsion energy	431.092391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3115	0.78
2	A₁	1660	1588	33.12
3	A₁	1184	1133	1.41
4	A₁	598	572	9.87
5	A₁	114	109	0.03
6	A₂	902	863	0.00
7	A₂	385	368	0.00
8	B₁	699	669	64.95
9	B₂	3235	3095	12.68
10	B₂	1291	1235	38.81
11	B₂	770	737	63.63
12	B₂	479	458	3.28

Atom	y (Å)	z (Å)
C1	0.665	1.261
C2	-0.665	1.261
Br3	1.734	-0.279
Br4	-1.734	-0.279
H5	1.225	2.190
H6	-1.225	2.190

	C1	C2	Br3	Br4	H5	H6
C1		1.3295	1.8751	2.8509	1.0843	2.1053
C2	1.3295		2.8509	1.8751	2.1053	1.0843
Br3	1.8751	2.8509		3.4688	2.5207	3.8536
Br4	2.8509	1.8751	3.4688		3.8536	2.5207
H5	1.0843	2.1053	2.5207	3.8536		2.4494
H6	2.1053	1.0843	3.8536	2.5207	2.4494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.782	C1	C2	H6	121.092
C2	C1	Br3	124.782	C2	C1	H5	121.092
Br3	C1	H5	114.126	Br4	C2	H6	114.126

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

using model chemistry: B3PW91/6-31G*

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	-0.174
2	C	-0.174
3	Br	-0.050
4	Br	-0.050
5	H	0.224
6	H	0.224

	x	y	z	Total
	0.000	0.000	1.717	1.717
CHELPG
AIM
ESP

<r²>	281.850
(<r²>)^1/2	16.788