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	hartrees
Energy at 0K	-10371.396627
Energy at 298.15K
HF Energy	-10371.396627
Nuclear repulsion energy	1489.527045

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	1606	1606	0.00	82.55	0.29	0.45
2	A_g	279	279	0.00	11.91	0.10	0.18
3	A_g	147	147	0.00	1.87	0.53	0.69
4	A_u	58	58	0.00	0.00	0.00	0.00
5	B_1u	659	659	29.27	0.00	0.00	0.00
6	B_1u	193	193	0.11	0.00	0.00	0.00
7	B_2g	506	506	0.00	0.42	0.75	0.86
8	B_2u	795	795	111.89	0.00	0.00	0.00
9	B_2u	118	118	0.14	0.00	0.00	0.00
10	B_3g	904	904	0.00	1.39	0.75	0.86
11	B_3g	218	218	0.00	1.90	0.75	0.86
12	B_3u	254	254	1.48	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.668
C2	0.000	-0.668
Br3	1.574	1.678
Br4	-1.574	1.678
Br5	-1.574	-1.678
Br6	1.574	-1.678

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3367	1.8695	1.8695	2.8250	2.8250
C2	1.3367		2.8250	2.8250	1.8695	1.8695
Br3	1.8695	2.8250		3.1471	4.6004	3.3556
Br4	1.8695	2.8250	3.1471		3.3556	4.6004
Br5	2.8250	1.8695	4.6004	3.3556		3.1471
Br6	2.8250	1.8695	3.3556	4.6004	3.1471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.680	C1	C2	Br6	122.680
C2	C1	Br3	122.680	C2	C1	Br4	122.680
Br3	C1	Br4	114.640	Br5	C2	Br6	114.640

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	0.071
2	C	0.071
3	Br	-0.035
4	Br	-0.035
5	Br	-0.035
6	Br	-0.035

<r²>	797.271
(<r²>)^1/2	28.236

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)