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	hartrees
Energy at 0K	-5222.169188
Energy at 298.15K	-5222.176799
HF Energy	-5221.616814
Nuclear repulsion energy	425.339581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3092	2.90
2	A₁	1648	1578	24.57
3	A₁	1215	1163	1.78
4	A₁	592	567	7.13
5	A₁	111	107	0.03
6	A₂	885	847	0.00
7	A₂	370	354	0.00
8	B₁	691	661	71.94
9	B₂	3207	3070	11.66
10	B₂	1320	1264	40.58
11	B₂	778	745	56.92
12	B₂	476	456	1.56

Atom	y (Å)	z (Å)
C1	0.668	1.249
C2	-0.668	1.249
Br3	1.775	-0.277
Br4	-1.775	-0.277
H5	1.214	2.187
H6	-1.214	2.187

	C1	C2	Br3	Br4	H5	H6
C1		1.3355	1.8846	2.8795	1.0857	2.1029
C2	1.3355		2.8795	1.8846	2.1029	1.0857
Br3	1.8846	2.8795		3.5492	2.5264	3.8732
Br4	2.8795	1.8846	3.5492		3.8732	2.5264
H5	1.0857	2.1029	2.5264	3.8732		2.4284
H6	2.1029	1.0857	3.8732	2.5264	2.4284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.965	C1	C2	H6	120.219
C2	C1	Br3	125.965	C2	C1	H5	120.219
Br3	C1	H5	113.816	Br4	C2	H6	113.816

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

using model chemistry: QCISD/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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