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	hartrees
Energy at 0K	-5217.078777
Energy at 298.15K	-5217.086487
HF Energy	-5216.642948
Nuclear repulsion energy	430.476761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3350	3095	0.74
2	A₁	1745	1612	24.21
3	A₁	1247	1151	2.43
4	A₁	607	561	9.62
5	A₁	121	112	0.06
6	A₂	968	894	0.00
7	A₂	393	363	0.00
8	B₁	745	688	61.87
9	B₂	3328	3074	14.19
10	B₂	1358	1254	42.64
11	B₂	795	734	51.29
12	B₂	488	451	3.16

Atom	y (Å)	z (Å)
C1	0.661	1.262
C2	-0.661	1.262
Br3	1.739	-0.279
Br4	-1.739	-0.279
H5	1.216	2.187
H6	-1.216	2.187

	C1	C2	Br3	Br4	H5	H6
C1		1.3216	1.8801	2.8513	1.0787	2.0921
C2	1.3216		2.8513	1.8801	2.0921	1.0787
Br3	1.8801	2.8513		3.4771	2.5204	3.8479
Br4	2.8513	1.8801	3.4771		3.8479	2.5204
H5	1.0787	2.0921	2.5204	3.8479		2.4313
H6	2.0921	1.0787	3.8479	2.5204	2.4313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.977	C1	C2	H6	120.955
C2	C1	Br3	124.977	C2	C1	H5	120.955
Br3	C1	H5	114.068	Br4	C2	H6	114.068

All results from a given calculation for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-)

using model chemistry: CID/6-31G*

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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