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	hartrees
Energy at 0K	-5217.081424
Energy at 298.15K	-5217.089129
HF Energy	-5216.642915
Nuclear repulsion energy	430.180738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3348	3100	0.84
2	A₁	1739	1610	24.51
3	A₁	1245	1152	2.46
4	A₁	606	561	9.73
5	A₁	121	112	0.06
6	A₂	965	893	0.00
7	A₂	392	363	0.00
8	B₁	744	689	61.71
9	B₂	3325	3078	13.94
10	B₂	1356	1255	43.55
11	B₂	793	734	52.26
12	B₂	487	451	3.28

Atom	y (Å)	z (Å)
C1	0.661	1.262
C2	-0.661	1.262
Br3	1.740	-0.279
Br4	-1.740	-0.279
H5	1.216	2.187
H6	-1.216	2.187

	C1	C2	Br3	Br4	H5	H6
C1		1.3226	1.8810	2.8533	1.0788	2.0930
C2	1.3226		2.8533	1.8810	2.0930	1.0788
Br3	1.8810	2.8533		3.4800	2.5213	3.8498
Br4	2.8533	1.8810	3.4800		3.8498	2.5213
H5	1.0788	2.0930	2.5213	3.8498		2.4321
H6	2.0930	1.0788	3.8498	2.5213	2.4321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.992	C1	C2	H6	120.946
C2	C1	Br3	124.992	C2	C1	H5	120.946
Br3	C1	H5	114.062	Br4	C2	H6	114.062

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

using model chemistry: CISD/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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