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	hartrees
Energy at 0K	-10322.193385
Energy at 298.15K
HF Energy	-10322.193385
Nuclear repulsion energy	1477.437236

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	1535	1464	0.00	44.01	0.23	0.37
2	A_g	272	259	0.00	11.92	0.15	0.26
3	A_g	137	131	0.00	2.86	0.68	0.81
4	A_u	61	58	0.00	0.00	0.00	0.00
5	B_1u	645	615	28.43	0.00	0.00	0.00
6	B_1u	180	172	0.16	0.00	0.00	0.00
7	B_2g	500	477	0.00	2.27	0.75	0.86
8	B_2u	789	753	137.48	0.00	0.00	0.00
9	B_2u	112	107	0.19	0.00	0.00	0.00
10	B_3g	893	851	0.00	0.44	0.75	0.86
11	B_3g	219	209	0.00	2.36	0.75	0.86
12	B_3u	236	225	4.75	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.677
C2	0.000	-0.677
Br3	1.599	1.677
Br4	-1.599	1.677
Br5	-1.599	-1.677
Br6	1.599	-1.677

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3541	1.8863	1.8863	2.8462	2.8462
C2	1.3541		2.8462	2.8462	1.8863	1.8863
Br3	1.8863	2.8462		3.1985	4.6350	3.3546
Br4	1.8863	2.8462	3.1985		3.3546	4.6350
Br5	2.8462	1.8863	4.6350	3.3546		3.1985
Br6	2.8462	1.8863	3.3546	4.6350	3.1985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.023	C1	C2	Br6	122.023
C2	C1	Br3	122.023	C2	C1	Br4	122.023
Br3	C1	Br4	115.953	Br5	C2	Br6	115.953

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: PBEPBE/3-21G*

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	-0.143
2	C	-0.143
3	Br	0.071
4	Br	0.071
5	Br	0.071
6	Br	0.071

<r²>	807.129
(<r²>)^1/2	28.410

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)