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	hartrees
Energy at 0K	-10321.209764
Energy at 298.15K
HF Energy	-10321.209764
Nuclear repulsion energy	1458.201842

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	1591	0.00	21.63	0.14	0.24
2	A_g	260	257	0.00	13.91	0.19	0.32
3	A_g	146	145	0.00	4.73	0.70	0.83
4	A_u	57	57	0.00	0.00	0.00	0.00
5	B_1u	624	618	35.48	0.00	0.00	0.00
6	B_1u	188	186	0.12	0.00	0.00	0.00
7	B_2g	558	553	0.00	3.09	0.75	0.86
8	B_2u	768	761	156.97	0.00	0.00	0.00
9	B_2u	121	120	0.28	0.00	0.00	0.00
10	B_3g	886	877	0.00	7.18	0.75	0.86
11	B_3g	219	217	0.00	3.20	0.75	0.86
12	B_3u	262	259	6.28	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
Br3	1.615	1.705
Br4	-1.615	1.705
Br5	-1.615	-1.705
Br6	1.615	-1.705

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3389	1.9187	1.9187	2.8719	2.8719
C2	1.3389		2.8719	2.8719	1.9187	1.9187
Br3	1.9187	2.8719		3.2301	4.6974	3.4106
Br4	1.9187	2.8719	3.2301		3.4106	4.6974
Br5	2.8719	1.9187	4.6974	3.4106		3.2301
Br6	2.8719	1.9187	3.4106	4.6974	3.2301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.675	C1	C2	Br6	122.675
C2	C1	Br3	122.675	C2	C1	Br4	122.675
Br3	C1	Br4	114.651	Br5	C2	Br6	114.651

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: PBEPBEultrafine/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	-0.540
2	C	-0.540
3	Br	0.270
4	Br	0.270
5	Br	0.270
6	Br	0.270

<r²>	828.111
(<r²>)^1/2	28.777

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)