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	hartrees
Energy at 0K	-10371.334464
Energy at 298.15K
HF Energy	-10371.334464
Nuclear repulsion energy	1481.827373

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	1614	1552	0.00	63.93	0.27	0.43
2	A_g	277	267	0.00	10.93	0.15	0.26
3	A_g	148	143	0.00	3.20	0.66	0.80
4	A_u	58	56	0.00	0.00	0.00	0.00
5	B_1u	653	628	34.65	0.00	0.00	0.00
6	B_1u	193	186	0.18	0.00	0.00	0.00
7	B_2g	486	467	0.00	1.16	0.75	0.86
8	B_2u	789	759	132.59	0.00	0.00	0.00
9	B_2u	120	115	0.20	0.00	0.00	0.00
10	B_3g	906	872	0.00	0.38	0.75	0.86
11	B_3g	217	209	0.00	2.77	0.75	0.86
12	B_3u	252	242	3.30	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.674
C2	0.000	-0.674
Br3	1.582	1.686
Br4	-1.582	1.686
Br5	-1.582	-1.686
Br6	1.582	-1.686

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3474	1.8784	1.8784	2.8409	2.8409
C2	1.3474		2.8409	2.8409	1.8784	1.8784
Br3	1.8784	2.8409		3.1649	4.6241	3.3713
Br4	1.8784	2.8409	3.1649		3.3713	4.6241
Br5	2.8409	1.8784	4.6241	3.3713		3.1649
Br6	2.8409	1.8784	3.3713	4.6241	3.1649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.599	C1	C2	Br6	122.599
C2	C1	Br3	122.599	C2	C1	Br4	122.599
Br3	C1	Br4	114.801	Br5	C2	Br6	114.801

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: HSEh1PBE/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	-0.173
2	C	-0.173
3	Br	0.086
4	Br	0.086
5	Br	0.086
6	Br	0.086

<r²>	804.397
(<r²>)^1/2	28.362

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)