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	hartrees
Energy at 0K	-10372.353303
Energy at 298.15K
HF Energy	-10372.353303
Nuclear repulsion energy	1475.141855

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	1573	1530	0.00	58.12	0.28	0.43
2	A_g	269	262	0.00	12.33	0.15	0.26
3	A_g	144	140	0.00	3.37	0.67	0.80
4	A_u	57	55	0.00	0.00	0.00	0.00
5	B_1u	633	616	38.31	0.00	0.00	0.00
6	B_1u	188	182	0.16	0.00	0.00	0.00
7	B_2g	461	448	0.00	1.13	0.75	0.86
8	B_2u	763	742	145.79	0.00	0.00	0.00
9	B_2u	116	113	0.21	0.00	0.00	0.00
10	B_3g	874	850	0.00	0.95	0.75	0.86
11	B_3g	212	206	0.00	2.99	0.75	0.86
12	B_3u	246	240	3.21	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.676
C2	0.000	-0.676
Br3	1.591	1.692
Br4	-1.591	1.692
Br5	-1.591	-1.692
Br6	1.591	-1.692

	C1	C2	Br3	Br4	Br5	Br6
C1		1.3527	1.8874	1.8874	2.8530	2.8530
C2	1.3527		2.8530	2.8530	1.8874	1.8874
Br3	1.8874	2.8530		3.1814	4.6448	3.3842
Br4	1.8874	2.8530	3.1814		3.3842	4.6448
Br5	2.8530	1.8874	4.6448	3.3842		3.1814
Br6	2.8530	1.8874	3.3842	4.6448	3.1814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br5	122.561	C1	C2	Br6	122.561
C2	C1	Br3	122.561	C2	C1	Br4	122.561
Br3	C1	Br4	114.878	Br5	C2	Br6	114.878

All results from a given calculation for C₂Br₄ (tetrabromoethene)

using model chemistry: TPSSh/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	-0.154
2	C	-0.154
3	Br	0.077
4	Br	0.077
5	Br	0.077
6	Br	0.077

<r²>	811.120
(<r²>)^1/2	28.480

All results from a given calculation for C2Br4 (tetrabromoethene)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for C₂Br₄ (tetrabromoethene)