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	hartrees
Energy at 0K	-1743.516556
Energy at 298.15K
HF Energy	-1743.516556
Nuclear repulsion energy	838.856446

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	1527	1527	0.00	48.33	0.29	0.45
2	A_g	264	264	0.00	13.50	0.11	0.21
3	A_g	139	139	0.00	2.53	0.62	0.76
4	A_u	54	54	0.00	0.00	0.00	0.00
5	B_1u	620	620	32.95	0.00	0.00	0.00
6	B_1u	182	182	0.11	0.00	0.00	0.00
7	B_2g	459	459	0.00	0.31	0.75	0.86
8	B_2u	738	738	136.76	0.00	0.00	0.00
9	B_2u	111	111	0.14	0.00	0.00	0.00
10	B_3g	842	842	0.00	1.81	0.75	0.86
11	B_3g	206	206	0.00	2.38	0.75	0.86
12	B_3u	239	239	2.76	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.674
C2	0.000	-0.674
Br3	1.591	1.694
Br4	-1.591	1.694
Br5	-1.591	-1.694
Br6	1.591	-1.694

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3487	1.8897	1.8897	2.8532	2.8532
C2	1.3487		2.8532	2.8532	1.8897	1.8897
Br3	1.8897	2.8532		3.1816	4.6481	3.3885
Br4	1.8897	2.8532	3.1816		3.3885	4.6481
Br5	2.8532	1.8897	4.6481	3.3885		3.1816
Br6	2.8532	1.8897	3.3885	4.6481	3.1816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.664	C1	C2	Br6	122.664
C2	C1	Br3	122.664	C2	C1	Br4	122.664
Br3	C1	Br4	114.671	Br5	C2	Br6	114.671

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: PBEPBE/cc-pVTZ-PP

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	-0.136
2	C	-0.136
3	Br	0.068
4	Br	0.068
5	Br	0.068
6	Br	0.068

<r²>	595.742
(<r²>)^1/2	24.408

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: PBEPBE/cc-pVTZ-PP

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)