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	hartrees
Energy at 0K	-10372.905476
Energy at 298.15K
HF Energy	-10372.905476
Nuclear repulsion energy	1470.025199

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	1577	1519	0.00	71.14	0.30	0.46
2	A_g	263	253	0.00	12.28	0.18	0.31
3	A_g	146	140	0.00	3.04	0.63	0.77
4	A_u	55	53	0.00	0.00	0.00	0.00
5	B_1u	623	600	34.02	0.00	0.00	0.00
6	B_1u	189	182	0.24	0.00	0.00	0.00
7	B_2g	497	479	0.00	0.15	0.75	0.86
8	B_2u	731	704	134.39	0.00	0.00	0.00
9	B_2u	117	113	0.17	0.00	0.00	0.00
10	B_3g	861	830	0.00	3.00	0.75	0.86
11	B_3g	209	202	0.00	3.71	0.75	0.86
12	B_3u	250	241	2.89	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.668
C2	0.000	-0.668
Br3	1.594	1.701
Br4	-1.594	1.701
Br5	-1.594	-1.701
Br6	1.594	-1.701

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3369	1.8989	1.8989	2.8554	2.8554
C2	1.3369		2.8554	2.8554	1.8989	1.8989
Br3	1.8989	2.8554		3.1874	4.6616	3.4016
Br4	1.8989	2.8554	3.1874		3.4016	4.6616
Br5	2.8554	1.8989	4.6616	3.4016		3.1874
Br6	2.8554	1.8989	3.4016	4.6616	3.1874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.933	C1	C2	Br6	122.933
C2	C1	Br3	122.933	C2	C1	Br4	122.933
Br3	C1	Br4	114.134	Br5	C2	Br6	114.134

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: B3LYPultrafine/TZVP

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	-0.043
2	C	-0.043
3	Br	0.022
4	Br	0.022
5	Br	0.022
6	Br	0.022

<r²>	817.380
(<r²>)^1/2	28.590

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)