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	hartrees
Energy at 0K	-5224.788591
Energy at 298.15K	-5224.796134
HF Energy	-5224.788591
Nuclear repulsion energy	426.452639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3143	0.00
2	A₁	1579	1579	35.79
3	A₁	1132	1132	1.10
4	A₁	581	581	7.11
5	A₁	103	103	0.02
6	A₂	850	850	0.00
7	A₂	373	373	0.00
8	B₁	655	655	57.74
9	B₂	3121	3121	16.36
10	B₂	1231	1231	42.17
11	B₂	744	744	66.62
12	B₂	468	468	2.37

Atom	y (Å)	z (Å)
C1	0.666	1.249
C2	-0.666	1.249
Br3	1.768	-0.277
Br4	-1.768	-0.277
H5	1.222	2.185
H6	-1.222	2.185

	C1	C2	Br3	Br4	H5	H6
C1		1.3329	1.8816	2.8727	1.0888	2.1082
C2	1.3329		2.8727	1.8816	2.1082	1.0888
Br3	1.8816	2.8727		3.5354	2.5215	3.8732
Br4	2.8727	1.8816	3.5354		3.8732	2.5215
H5	1.0888	2.1082	2.5215	3.8732		2.4449
H6	2.1082	1.0888	3.8732	2.5215	2.4449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.821	C1	C2	H6	120.709
C2	C1	Br3	125.821	C2	C1	H5	120.709
Br3	C1	H5	113.469	Br4	C2	H6	113.469

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	-0.095
2	C	-0.095
3	Br	-0.041
4	Br	-0.041
5	H	0.135
6	H	0.135

	x	y	z	Total
	0.000	0.000	1.552	1.552
CHELPG
AIM
ESP

<r²>	290.303
(<r²>)^1/2	17.038