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	hartrees
Energy at 0K	-5224.783332
Energy at 298.15K	-5224.790858
HF Energy	-5224.783332
Nuclear repulsion energy	424.957009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	3138	0.00
2	A₁	1583	1574	38.50
3	A₁	1120	1113	1.37
4	A₁	576	573	7.67
5	A₁	103	102	0.03
6	A₂	835	830	0.00
7	A₂	368	365	0.00
8	B₁	656	652	58.77
9	B₂	3137	3118	17.22
10	B₂	1217	1210	42.58
11	B₂	739	735	68.61
12	B₂	464	461	3.18

Atom	y (Å)	z (Å)
C1	0.671	1.255
C2	-0.671	1.255
Br3	1.772	-0.278
Br4	-1.772	-0.278
H5	1.232	2.198
H6	-1.232	2.198

	C1	C2	Br3	Br4	H5	H6
C1		1.3424	1.8878	2.8849	1.0972	2.1243
C2	1.3424		2.8849	1.8878	2.1243	1.0972
Br3	1.8878	2.8849		3.5448	2.5344	3.8936
Br4	2.8849	1.8878	3.5448		3.8936	2.5344
H5	1.0972	2.1243	2.5344	3.8936		2.4649
H6	2.1243	1.0972	3.8936	2.5344	2.4649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.683	C1	C2	H6	120.765
C2	C1	Br3	125.683	C2	C1	H5	120.765
Br3	C1	H5	113.553	Br4	C2	H6	113.553

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	0.316
2	C	0.316
3	Br	0.238
4	Br	0.238
5	H	-0.554
6	H	-0.554

	x	y	z	Total
	0.000	0.000	1.581	1.581
CHELPG
AIM
ESP

<r²>	291.995
(<r²>)^1/2	17.088