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	hartrees
Energy at 0K	-5228.238239
Energy at 298.15K	-5228.245763
HF Energy	-5228.238239
Nuclear repulsion energy	423.573779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3173	0.75
2	A₁	1585	1585	40.31
3	A₁	1139	1139	1.84
4	A₁	566	566	8.68
5	A₁	106	106	0.03
6	A₂	836	836	0.00
7	A₂	366	366	0.00
8	B₁	656	656	58.27
9	B₂	3151	3151	13.83
10	B₂	1236	1236	49.15
11	B₂	735	735	70.36
12	B₂	463	463	4.55

Atom	y (Å)	z (Å)
C1	0.670	1.256
C2	-0.670	1.256
Br3	1.781	-0.278
Br4	-1.781	-0.278
H5	1.229	2.195
H6	-1.229	2.195

	C1	C2	Br3	Br4	H5	H6
C1		1.3399	1.8942	2.8914	1.0928	2.1183
C2	1.3399		2.8914	1.8942	2.1183	1.0928
Br3	1.8942	2.8914		3.5617	2.5342	3.8956
Br4	2.8914	1.8942	3.5617		3.8956	2.5342
H5	1.0928	2.1183	2.5342	3.8956		2.4576
H6	2.1183	1.0928	3.8956	2.5342	2.4576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.908	C1	C2	H6	120.757
C2	C1	Br3	125.908	C2	C1	H5	120.757
Br3	C1	H5	113.335	Br4	C2	H6	113.335

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

using model chemistry: B97D3/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	0.335
2	C	0.335
3	Br	0.227
4	Br	0.227
5	H	-0.563
6	H	-0.563

	x	y	z	Total
	0.000	0.000	1.650	1.650
CHELPG
AIM
ESP

<r²>	293.891
(<r²>)^1/2	17.143