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	hartrees
Energy at 0K	-10373.436544
Energy at 298.15K
HF Energy	-10373.436544
Nuclear repulsion energy	1482.780863

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	1617	1549	0.00	79.42	0.30	0.47
2	A_g	278	266	0.00	12.74	0.10	0.18
3	A_g	147	141	0.00	2.01	0.53	0.69
4	A_u	57	55	0.00	0.00	0.00	0.00
5	B_1u	654	627	31.60	0.00	0.00	0.00
6	B_1u	193	185	0.12	0.00	0.00	0.00
7	B_2g	483	463	0.00	0.09	0.75	0.86
8	B_2u	789	756	118.46	0.00	0.00	0.00
9	B_2u	118	113	0.16	0.00	0.00	0.00
10	B_3g	902	865	0.00	1.92	0.75	0.86
11	B_3g	218	208	0.00	2.09	0.75	0.86
12	B_3u	252	241	1.58	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.672
C2	0.000	-0.672
Br3	1.580	1.686
Br4	-1.580	1.686
Br5	-1.580	-1.686
Br6	1.580	-1.686

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3447	1.8773	1.8773	2.8388	2.8388
C2	1.3447		2.8388	2.8388	1.8773	1.8773
Br3	1.8773	2.8388		3.1600	4.6215	3.3724
Br4	1.8773	2.8388	3.1600		3.3724	4.6215
Br5	2.8388	1.8773	4.6215	3.3724		3.1600
Br6	2.8388	1.8773	3.3724	4.6215	3.1600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.689	C1	C2	Br6	122.689
C2	C1	Br3	122.689	C2	C1	Br4	122.689
Br3	C1	Br4	114.623	Br5	C2	Br6	114.623

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: mPW1PW91/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	-0.537
2	C	-0.537
3	Br	0.268
4	Br	0.268
5	Br	0.268
6	Br	0.268

<r²>	804.146
(<r²>)^1/2	28.357

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)