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	hartrees
Energy at 0K	-10377.914024
Energy at 298.15K
HF Energy	-10377.914024
Nuclear repulsion energy	1465.753294

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	1531	1531	0.00	60.74	0.32	0.49
2	A_g	259	259	0.00	15.64	0.10	0.18
3	A_g	144	144	0.00	2.17	0.54	0.70
4	A_u	53	53	0.00	0.00	0.00	0.00
5	B_1u	613	613	38.13	0.00	0.00	0.00
6	B_1u	186	186	0.18	0.00	0.00	0.00
7	B_2g	441	441	0.00	0.01	0.75	0.86
8	B_2u	713	713	147.03	0.00	0.00	0.00
9	B_2u	115	115	0.17	0.00	0.00	0.00
10	B_3g	825	825	0.00	3.80	0.75	0.86
11	B_3g	205	205	0.00	2.38	0.75	0.86
12	B_3u	239	239	1.78	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.678
C2	0.000	-0.678
Br3	1.598	1.707
Br4	-1.598	1.707
Br5	-1.598	-1.707
Br6	1.598	-1.707

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3567	1.8999	1.8999	2.8706	2.8706
C2	1.3567		2.8706	2.8706	1.8999	1.8999
Br3	1.8999	2.8706		3.1953	4.6754	3.4131
Br4	1.8999	2.8706	3.1953		3.4131	4.6754
Br5	2.8706	1.8999	4.6754	3.4131		3.1953
Br6	2.8706	1.8999	3.4131	4.6754	3.1953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.764	C1	C2	Br6	122.764
C2	C1	Br3	122.764	C2	C1	Br4	122.764
Br3	C1	Br4	114.472	Br5	C2	Br6	114.472

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: B97D3/aug-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	-0.412
2	C	-0.412
3	Br	0.206
4	Br	0.206
5	Br	0.206
6	Br	0.206

<r²>	821.684
(<r²>)^1/2	28.665

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)