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	hartrees
Energy at 0K	-10372.667264
Energy at 298.15K
HF Energy	-10372.667264
Nuclear repulsion energy	1481.700762

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	1565	1511	0.00	72.04	0.29	0.45
2	A_g	269	260	0.00	13.87	0.09	0.17
3	A_g	142	137	0.00	1.92	0.53	0.70
4	A_u	57	55	0.00	0.00	0.00	0.00
5	B_1u	634	612	32.70	0.00	0.00	0.00
6	B_1u	185	179	0.07	0.00	0.00	0.00
7	B_2g	481	464	0.00	0.49	0.75	0.86
8	B_2u	762	735	124.28	0.00	0.00	0.00
9	B_2u	114	111	0.15	0.00	0.00	0.00
10	B_3g	866	836	0.00	2.43	0.75	0.86
11	B_3g	213	206	0.00	2.04	0.75	0.86
12	B_3u	248	239	1.44	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.671
C2	0.000	-0.671
Br3	1.584	1.684
Br4	-1.584	1.684
Br5	-1.584	-1.684
Br6	1.584	-1.684

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3411	1.8807	1.8807	2.8378	2.8378
C2	1.3411		2.8378	2.8378	1.8807	1.8807
Br3	1.8807	2.8378		3.1690	4.6240	3.3674
Br4	1.8807	2.8378	3.1690		3.3674	4.6240
Br5	2.8378	1.8807	4.6240	3.3674		3.1690
Br6	2.8378	1.8807	3.3674	4.6240	3.1690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.595	C1	C2	Br6	122.595
C2	C1	Br3	122.595	C2	C1	Br4	122.595
Br3	C1	Br4	114.809	Br5	C2	Br6	114.809

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: TPSSh/aug-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	-0.062
2	C	-0.062
3	Br	0.031
4	Br	0.031
5	Br	0.031
6	Br	0.031

<r²>	804.916
(<r²>)^1/2	28.371

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)