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	hartrees
Energy at 0K	-5224.770343
Energy at 298.15K	-5224.777856
HF Energy	-5224.770343
Nuclear repulsion energy	424.427727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3114	1.73
2	A₁	1585	1568	39.92
3	A₁	1152	1140	1.27
4	A₁	570	564	8.41
5	A₁	103	102	0.01
6	A₂	834	825	0.00
7	A₂	370	366	0.00
8	B₁	653	646	78.37
9	B₂	3125	3093	12.18
10	B₂	1248	1235	39.62
11	B₂	740	732	78.15
12	B₂	464	459	2.72

Atom	y (Å)	z (Å)
C1	0.668	1.249
C2	-0.668	1.249
Br3	1.779	-0.277
Br4	-1.779	-0.277
H5	1.222	2.189
H6	-1.222	2.189

	C1	C2	Br3	Br4	H5	H6
C1		1.3358	1.8880	2.8841	1.0911	2.1109
C2	1.3358		2.8841	1.8880	2.1109	1.0911
Br3	1.8880	2.8841		3.5588	2.5281	3.8847
Br4	2.8841	1.8880	3.5588		3.8847	2.5281
H5	1.0911	2.1109	2.5281	3.8847		2.4446
H6	2.1109	1.0911	3.8847	2.5281	2.4446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.066	C1	C2	H6	120.537
C2	C1	Br3	126.066	C2	C1	H5	120.537
Br3	C1	H5	113.397	Br4	C2	H6	113.397

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

using model chemistry: PBEPBEultrafine/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	-0.311
2	C	-0.311
3	Br	0.049
4	Br	0.049
5	H	0.263
6	H	0.263

	x	y	z	Total
	0.000	0.000	1.580	1.580
CHELPG
AIM
ESP

<r²>	293.035
(<r²>)^1/2	17.118