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	hartrees
Energy at 0K	-10371.056763
Energy at 298.15K
HF Energy	-10371.056763
Nuclear repulsion energy	1469.457643

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	1532	1523	0.00	48.74	0.26	0.41
2	A_g	265	264	0.00	12.45	0.15	0.25
3	A_g	143	142	0.00	3.45	0.67	0.80
4	A_u	54	54	0.00	0.00	0.00	0.00
5	B_1u	621	618	38.32	0.00	0.00	0.00
6	B_1u	186	185	0.17	0.00	0.00	0.00
7	B_2g	443	440	0.00	0.87	0.75	0.86
8	B_2u	745	741	153.90	0.00	0.00	0.00
9	B_2u	114	114	0.18	0.00	0.00	0.00
10	B_3g	853	848	0.00	0.42	0.75	0.86
11	B_3g	207	206	0.00	2.70	0.75	0.86
12	B_3u	240	238	3.64	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.681
C2	0.000	-0.681
Br3	1.596	1.699
Br4	-1.596	1.699
Br5	-1.596	-1.699
Br6	1.596	-1.699

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3614	1.8936	1.8936	2.8657	2.8657
C2	1.3614		2.8657	2.8657	1.8936	1.8936
Br3	1.8936	2.8657		3.1929	4.6629	3.3982
Br4	1.8936	2.8657	3.1929		3.3982	4.6629
Br5	2.8657	1.8936	4.6629	3.3982		3.1929
Br6	2.8657	1.8936	3.3982	4.6629	3.1929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.535	C1	C2	Br6	122.535
C2	C1	Br3	122.535	C2	C1	Br4	122.535
Br3	C1	Br4	114.931	Br5	C2	Br6	114.931

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	-0.164
2	C	-0.164
3	Br	0.082
4	Br	0.082
5	Br	0.082
6	Br	0.082

<r²>	816.928
(<r²>)^1/2	28.582

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)