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	hartrees
Energy at 0K	-5226.178420
Energy at 298.15K	-5226.186075
HF Energy	-5226.178420
Nuclear repulsion energy	429.974760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3105	0.00
2	A₁	1654	1585	33.47
3	A₁	1181	1131	1.37
4	A₁	605	579	7.43
5	A₁	106	102	0.04
6	A₂	914	876	0.00
7	A₂	390	373	0.00
8	B₁	693	664	57.65
9	B₂	3218	3084	17.70
10	B₂	1289	1235	44.16
11	B₂	775	743	61.87
12	B₂	484	464	2.27

Atom	y (Å)	z (Å)
C1	0.660	1.241
C2	-0.660	1.241
Br3	1.752	-0.275
Br4	-1.752	-0.275
H5	1.208	2.171
H6	-1.208	2.171

	C1	C2	Br3	Br4	H5	H6
C1		1.3208	1.8680	2.8492	1.0797	2.0875
C2	1.3208		2.8492	1.8680	2.0875	1.0797
Br3	1.8680	2.8492		3.5041	2.5059	3.8403
Br4	2.8492	1.8680	3.5041		3.8403	2.5059
H5	1.0797	2.0875	2.5059	3.8403		2.4166
H6	2.0875	1.0797	3.8403	2.5059	2.4166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.759	C1	C2	H6	120.493
C2	C1	Br3	125.759	C2	C1	H5	120.493
Br3	C1	H5	113.748	Br4	C2	H6	113.748

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

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	-0.364
2	C	-0.364
3	Br	0.083
4	Br	0.083
5	H	0.281
6	H	0.281

	x	y	z	Total
	0.000	0.000	1.653	1.653
CHELPG
AIM
ESP

<r²>	285.663
(<r²>)^1/2	16.902