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	hartrees
Energy at 0K	-1743.283826
Energy at 298.15K
HF Energy	-1743.283826
Nuclear repulsion energy	842.488459

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	1569	1569	0.00	57.07	0.31	0.47
2	A_g	268	268	0.00	13.24	0.12	0.21
3	A_g	141	141	0.00	2.43	0.62	0.76
4	A_u	57	57	0.00	0.00	0.00	0.00
5	B_1u	633	633	33.31	0.00	0.00	0.00
6	B_1u	184	184	0.08	0.00	0.00	0.00
7	B_2g	477	477	0.00	0.52	0.75	0.86
8	B_2u	759	759	128.77	0.00	0.00	0.00
9	B_2u	113	113	0.16	0.00	0.00	0.00
10	B_3g	865	865	0.00	2.70	0.75	0.86
11	B_3g	212	212	0.00	2.57	0.75	0.86
12	B_3u	246	246	2.27	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
Br3	1.585	1.686
Br4	-1.585	1.686
Br5	-1.585	-1.686
Br6	1.585	-1.686

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3406	1.8824	1.8824	2.8396	2.8396
C2	1.3406		2.8396	2.8396	1.8824	1.8824
Br3	1.8824	2.8396		3.1702	4.6277	3.3714
Br4	1.8824	2.8396	3.1702		3.3714	4.6277
Br5	2.8396	1.8824	4.6277	3.3714		3.1702
Br6	2.8396	1.8824	3.3714	4.6277	3.1702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.642	C1	C2	Br6	122.642
C2	C1	Br3	122.642	C2	C1	Br4	122.642
Br3	C1	Br4	114.715	Br5	C2	Br6	114.715

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: TPSSh/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	-0.126
2	C	-0.126
3	Br	0.063
4	Br	0.063
5	Br	0.063
6	Br	0.063

<r²>	590.952
(<r²>)^1/2	24.309

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: TPSSh/cc-pVTZ-PP

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)