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	hartrees
Energy at 0K	-10371.374785
Energy at 298.15K
HF Energy	-10371.374785
Nuclear repulsion energy	1475.626107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	1523	1513	0.00	65.28	0.28	0.44
2	A_g	265	263	0.00	14.21	0.09	0.17
3	A_g	140	139	0.00	1.95	0.53	0.69
4	A_u	54	54	0.00	0.00	0.00	0.00
5	B_1u	622	617	32.26	0.00	0.00	0.00
6	B_1u	184	182	0.11	0.00	0.00	0.00
7	B_2g	465	462	0.00	0.24	0.75	0.86
8	B_2u	740	736	132.36	0.00	0.00	0.00
9	B_2u	112	112	0.13	0.00	0.00	0.00
10	B_3g	842	837	0.00	1.76	0.75	0.86
11	B_3g	208	206	0.00	1.85	0.75	0.86
12	B_3u	240	239	1.79	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.675
C2	0.000	-0.675
Br3	1.590	1.692
Br4	-1.590	1.692
Br5	-1.590	-1.692
Br6	1.590	-1.692

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3493	1.8874	1.8874	2.8510	2.8510
C2	1.3493		2.8510	2.8510	1.8874	1.8874
Br3	1.8874	2.8510		3.1797	4.6434	3.3839
Br4	1.8874	2.8510	3.1797		3.3839	4.6434
Br5	2.8510	1.8874	4.6434	3.3839		3.1797
Br6	2.8510	1.8874	3.3839	4.6434	3.1797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.614	C1	C2	Br6	122.614
C2	C1	Br3	122.614	C2	C1	Br4	122.614
Br3	C1	Br4	114.773	Br5	C2	Br6	114.773

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: PBEPBE/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	-0.163
2	C	-0.163
3	Br	0.082
4	Br	0.082
5	Br	0.082
6	Br	0.082

<r²>	811.426
(<r²>)^1/2	28.486

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)