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	hartrees
Energy at 0K	-5224.946129
Energy at 298.15K	-5224.953664
HF Energy	-5224.946129
Nuclear repulsion energy	426.414983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3109	0.00
2	A₁	1576	1559	36.51
3	A₁	1130	1118	1.18
4	A₁	574	568	7.23
5	A₁	102	101	0.02
6	A₂	849	840	0.00
7	A₂	374	370	0.00
8	B₁	656	649	57.03
9	B₂	3122	3088	16.14
10	B₂	1233	1219	42.51
11	B₂	738	729	65.81
12	B₂	464	458	2.85

Atom	y (Å)	z (Å)
C1	0.666	1.250
C2	-0.666	1.250
Br3	1.767	-0.277
Br4	-1.767	-0.277
H5	1.222	2.187
H6	-1.222	2.187

	C1	C2	Br3	Br4	H5	H6
C1		1.3328	1.8825	2.8731	1.0886	2.1076
C2	1.3328		2.8731	1.8825	2.1076	1.0886
Br3	1.8825	2.8731		3.5346	2.5230	3.8734
Br4	2.8731	1.8825	3.5346		3.8734	2.5230
H5	1.0886	2.1076	2.5230	3.8734		2.4436
H6	2.1076	1.0886	3.8734	2.5230	2.4436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.790	C1	C2	H6	120.676
C2	C1	Br3	125.790	C2	C1	H5	120.676
Br3	C1	H5	113.535	Br4	C2	H6	113.535

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.374
2	C	-0.374
3	Br	0.103
4	Br	0.103
5	H	0.271
6	H	0.271

	x	y	z	Total
	0.000	0.000	1.540	1.540
CHELPG
AIM
ESP

<r²>	290.284
(<r²>)^1/2	17.038