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	hartrees
Energy at 0K	-5221.821312
Energy at 298.15K	-5221.828797
HF Energy	-5221.821312
Nuclear repulsion energy	389.141375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3393	3069	0.00
2	A_g	1778	1609	0.00
3	A_g	1398	1264	0.00
4	A_g	818	740	0.00
5	A_g	236	213	0.00
6	A_u	1050	950	54.86
7	A_u	188	170	0.18
8	B_g	888	803	0.00
9	B_u	3387	3064	18.70
10	B_u	1292	1169	54.16
11	B_u	736	666	77.51
12	B_u	214	194	2.47

Atom	x (Å)	y (Å)
C1	-0.374	0.534
C2	0.374	-0.534
Br3	0.374	2.266
Br4	-0.374	-2.266
H5	-1.443	0.522
H6	1.443	-0.522

	C1	C2	Br3	Br4	H5	H6
C1		1.3049	1.8865	2.8005	1.0684	2.1016
C2	1.3049		2.8005	1.8865	2.1016	1.0684
Br3	1.8865	2.8005		4.5936	2.5186	2.9856
Br4	2.8005	1.8865	4.5936		2.9856	2.5186
H5	1.0684	2.1016	2.5186	2.9856		3.0682
H6	2.1016	1.0684	2.9856	2.5186	3.0682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	121.617	C1	C2	H6	124.331
C2	C1	Br3	121.617	C2	C1	H5	124.331
Br3	C1	H5	114.053	Br4	C2	H6	114.053

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

using model chemistry: HF/daug-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	-0.655
2	C	-0.655
3	Br	-0.004
4	Br	-0.004
5	H	0.659
6	H	0.659

	x	y	z
x	8.197	0.707	0.000
y	0.707	15.409	0.000
z	0.000	0.000	7.149

<r²>	410.059
(<r²>)^1/2	20.250