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	hartrees
Energy at 0K	-10364.297326
Energy at 298.15K
HF Energy	-10364.297326
Nuclear repulsion energy	1504.937502

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	1618	1545	0.00	74.21	0.29	0.45
2	A_g	288	275	0.00	10.65	0.10	0.18
3	A_g	151	144	0.00	2.08	0.56	0.72
4	A_u	61	58	0.00	0.00	0.00	0.00
5	B_1u	670	640	28.89	0.00	0.00	0.00
6	B_1u	198	189	0.06	0.00	0.00	0.00
7	B_2g	520	496	0.00	0.75	0.75	0.86
8	B_2u	830	792	106.35	0.00	0.00	0.00
9	B_2u	122	117	0.17	0.00	0.00	0.00
10	B_3g	940	897	0.00	0.01	0.75	0.86
11	B_3g	225	214	0.00	1.88	0.75	0.86
12	B_3u	260	248	1.26	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.671
C2	0.000	-0.671
Br3	1.560	1.658
Br4	-1.560	1.658
Br5	-1.560	-1.658
Br6	1.560	-1.658

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3414	1.8460	1.8460	2.8027	2.8027
C2	1.3414		2.8027	2.8027	1.8460	1.8460
Br3	1.8460	2.8027		3.1200	4.5527	3.3156
Br4	1.8460	2.8027	3.1200		3.3156	4.5527
Br5	2.8027	1.8460	4.5527	3.3156		3.1200
Br6	2.8027	1.8460	3.3156	4.5527	3.1200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.324	C1	C2	Br6	122.324
C2	C1	Br3	122.324	C2	C1	Br4	122.324
Br3	C1	Br4	115.352	Br5	C2	Br6	115.352

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.281
2	C	-0.281
3	Br	0.141
4	Br	0.141
5	Br	0.141
6	Br	0.141

<r²>	781.251
(<r²>)^1/2	27.951

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)