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	hartrees
Energy at 0K	-5222.634465
Energy at 298.15K	-5222.642141
HF Energy	-5221.818785
Nuclear repulsion energy	430.384728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3116	0.15
2	A₁	1669	1597	25.05
3	A₁	1200	1149	2.27
4	A₁	609	582	6.32
5	A₁	111	106	0.05
6	A₂	930	890	0.00
7	A₂	386	369	0.00
8	B₁	705	675	53.09
9	B₂	3232	3093	15.50
10	B₂	1317	1261	43.48
11	B₂	785	751	44.65
12	B₂	483	463	1.64

Atom	y (Å)	z (Å)
C1	0.663	1.246
C2	-0.663	1.246
Br3	1.747	-0.276
Br4	-1.747	-0.276
H5	1.207	2.177
H6	-1.207	2.177

	C1	C2	Br3	Br4	H5	H6
C1		1.3257	1.8682	2.8500	1.0788	2.0889
C2	1.3257		2.8500	1.8682	2.0889	1.0788
Br3	1.8682	2.8500		3.4942	2.5117	3.8396
Br4	2.8500	1.8682	3.4942		3.8396	2.5117
H5	1.0788	2.0889	2.5117	3.8396		2.4137
H6	2.0889	1.0788	3.8396	2.5117	2.4137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.475	C1	C2	H6	120.284
C2	C1	Br3	125.475	C2	C1	H5	120.284
Br3	C1	H5	114.240	Br4	C2	H6	114.240

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

using model chemistry: CCD/aug-cc-pVTZ

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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