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	hartrees
Energy at 0K	-5222.087691
Energy at 298.15K	-5222.095405
HF Energy	-5221.617628
Nuclear repulsion energy	427.230709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3319	3071	2.06
2	A₁	1720	1592	26.84
3	A₁	1253	1160	1.96
4	A₁	612	566	7.80
5	A₁	115	106	0.04
6	A₂	953	882	0.00
7	A₂	393	363	0.00
8	B₁	727	673	74.78
9	B₂	3295	3049	14.12
10	B₂	1361	1259	45.78
11	B₂	803	743	61.92
12	B₂	494	457	1.82

Atom	y (Å)	z (Å)
C1	0.662	1.239
C2	-0.662	1.239
Br3	1.770	-0.274
Br4	-1.770	-0.274
H5	1.202	2.172
H6	-1.202	2.172

	C1	C2	Br3	Br4	H5	H6
C1		1.3232	1.8752	2.8635	1.0786	2.0842
C2	1.3232		2.8635	1.8752	2.0842	1.0786
Br3	1.8752	2.8635		3.5390	2.5115	3.8489
Br4	2.8635	1.8752	3.5390		3.8489	2.5115
H5	1.0786	2.0842	2.5115	3.8489		2.4037
H6	2.0842	1.0786	3.8489	2.5115	2.4037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.214	C1	C2	H6	120.058
C2	C1	Br3	126.214	C2	C1	H5	120.058
Br3	C1	H5	113.728	Br4	C2	H6	113.728

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

using model chemistry: CISD/6-311G*

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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