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	hartrees
Energy at 0K	-10378.226907
Energy at 298.15K
HF Energy	-10378.226907
Nuclear repulsion energy	1471.256200

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	1522	1501	0.00	56.65	0.30	0.46
2	A_g	259	256	0.00	13.71	0.12	0.22
3	A_g	144	142	0.00	2.52	0.62	0.77
4	A_u	53	53	0.00	0.00	0.00	0.00
5	B_1u	615	606	37.79	0.00	0.00	0.00
6	B_1u	186	184	0.14	0.00	0.00	0.00
7	B_2g	464	458	0.00	0.20	0.75	0.86
8	B_2u	712	702	145.52	0.00	0.00	0.00
9	B_2u	116	114	0.18	0.00	0.00	0.00
10	B_3g	827	815	0.00	2.77	0.75	0.86
11	B_3g	206	203	0.00	2.68	0.75	0.86
12	B_3u	242	239	1.94	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.674
C2	0.000	-0.674
Br3	1.592	1.700
Br4	-1.592	1.700
Br5	-1.592	-1.700
Br6	1.592	-1.700

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3475	1.8940	1.8940	2.8580	2.8580
C2	1.3475		2.8580	2.8580	1.8940	1.8940
Br3	1.8940	2.8580		3.1840	4.6578	3.3997
Br4	1.8940	2.8580	3.1840		3.3997	4.6578
Br5	2.8580	1.8940	4.6578	3.3997		3.1840
Br6	2.8580	1.8940	3.3997	4.6578	3.1840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.803	C1	C2	Br6	122.803
C2	C1	Br3	122.803	C2	C1	Br4	122.803
Br3	C1	Br4	114.394	Br5	C2	Br6	114.394

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: B97D3/cc-pVTZ

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	-0.093
2	C	-0.093
3	Br	0.047
4	Br	0.047
5	Br	0.047
6	Br	0.047

<r²>	815.674
(<r²>)^1/2	28.560

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)