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	hartrees
Energy at 0K	-10371.372026
Energy at 298.15K
HF Energy	-10371.372026
Nuclear repulsion energy	1475.489456

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	1525	1515	0.00	58.42	0.28	0.44
2	A_g	265	263	0.00	12.86	0.12	0.22
3	A_g	141	140	0.00	2.49	0.62	0.77
4	A_u	55	54	0.00	0.00	0.00	0.00
5	B_1u	623	619	34.34	0.00	0.00	0.00
6	B_1u	184	183	0.10	0.00	0.00	0.00
7	B_2g	466	463	0.00	0.13	0.75	0.86
8	B_2u	742	737	138.97	0.00	0.00	0.00
9	B_2u	113	112	0.16	0.00	0.00	0.00
10	B_3g	846	840	0.00	1.38	0.75	0.86
11	B_3g	208	207	0.00	2.37	0.75	0.86
12	B_3u	241	240	2.23	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		1.3498	1.8875	1.8875	2.8515	2.8515
C2	1.3498		2.8515	2.8515	1.8875	1.8875
Br3	1.8875	2.8515		3.1797	4.6438	3.3845
Br4	1.8875	2.8515	3.1797		3.3845	4.6438
Br5	2.8515	1.8875	4.6438	3.3845		3.1797
Br6	2.8515	1.8875	3.3845	4.6438	3.1797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.615	C1	C2	Br6	122.615
C2	C1	Br3	122.615	C2	C1	Br4	122.615
Br3	C1	Br4	114.770	Br5	C2	Br6	114.770

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: PBEPBEultrafine/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	-0.082
2	C	-0.082
3	Br	0.041
4	Br	0.041
5	Br	0.041
6	Br	0.041

<r²>	811.367
(<r²>)^1/2	28.485

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)