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	hartrees
Energy at 0K	-10360.308837
Energy at 298.15K
HF Energy	-10360.190248
Nuclear repulsion energy	1454.440587

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	1643	1643	0.00	12.63	0.19	0.32
2	A_g	254	254	0.00	13.94	0.20	0.33
3	A_g	142	142	0.00	4.68	0.70	0.82
4	A_u	60	60	0.00	0.00	0.00	0.00
5	B_1u	603	603	28.25	0.00	0.36	0.53
6	B_1u	182	182	0.07	0.00	0.30	0.00
7	B_2g	535	535	0.00	2.12	0.75	0.86
8	B_2u	734	734	113.44	0.00	0.75	0.86
9	B_2u	118	118	0.38	0.00	0.00	0.00
10	B_3g	857	857	0.00	12.05	0.75	0.86
11	B_3g	213	213	0.00	4.87	0.75	0.86
12	B_3u	254	254	3.13	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
Br3	1.620	1.709
Br4	-1.620	1.709
Br5	-1.620	-1.709
Br6	1.620	-1.709

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3379	1.9250	1.9250	2.8772	2.8772
C2	1.3379		2.8772	2.8772	1.9250	1.9250
Br3	1.9250	2.8772		3.2400	4.7094	3.4177
Br4	1.9250	2.8772	3.2400		3.4177	4.7094
Br5	2.8772	1.9250	4.7094	3.4177		3.2400
Br6	2.8772	1.9250	3.4177	4.7094	3.2400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.697	C1	C2	Br6	122.697
C2	C1	Br3	122.697	C2	C1	Br4	122.697
Br3	C1	Br4	114.606	Br5	C2	Br6	114.606

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: B2PLYP/6-31G

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	-0.443
2	C	-0.443
3	Br	0.221
4	Br	0.221
5	Br	0.221
6	Br	0.221

<r²>	833.315
(<r²>)^1/2	28.867

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)