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	hartrees
Energy at 0K	-5225.550906
Energy at 298.15K	-5225.558507
HF Energy	-5225.550906
Nuclear repulsion energy	426.869639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3103	0.25
2	A₁	1625	1566	39.91
3	A₁	1179	1136	1.31
4	A₁	584	563	9.92
5	A₁	104	100	0.03
6	A₂	893	860	0.00
7	A₂	380	367	0.00
8	B₁	689	664	72.40
9	B₂	3198	3082	15.02
10	B₂	1285	1238	50.97
11	B₂	759	731	73.63
12	B₂	473	456	2.97

Atom	y (Å)	z (Å)
C1	0.663	1.252
C2	-0.663	1.252
Br3	1.764	-0.277
Br4	-1.764	-0.277
H5	1.219	2.181
H6	-1.219	2.181

	C1	C2	Br3	Br4	H5	H6
C1		1.3261	1.8846	2.8691	1.0819	2.0982
C2	1.3261		2.8691	1.8846	2.0982	1.0819
Br3	1.8846	2.8691		3.5289	2.5175	3.8651
Br4	2.8691	1.8846	3.5289		3.8651	2.5175
H5	1.0819	2.0982	2.5175	3.8651		2.4372
H6	2.0982	1.0819	3.8651	2.5175	2.4372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.761	C1	C2	H6	120.898
C2	C1	Br3	125.761	C2	C1	H5	120.898
Br3	C1	H5	113.341	Br4	C2	H6	113.341

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

using model chemistry: TPSSh/TZVP

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	-0.117
2	C	-0.117
3	Br	-0.056
4	Br	-0.056
5	H	0.173
6	H	0.173

	x	y	z	Total
	0.000	0.000	1.716	1.716
CHELPG
AIM
ESP

<r²>	289.274
(<r²>)^1/2	17.008