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	hartrees
Energy at 0K	-5222.235865
Energy at 298.15K	-5222.243487
HF Energy	-5221.648174
Nuclear repulsion energy	425.725948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3135	0.64
2	A₁	1658	1599	26.13
3	A₁	1176	1135	3.00
4	A₁	598	576	6.59
5	A₁	111	107	0.06
6	A₂	890	858	0.00
7	A₂	368	355	0.00
8	B₁	686	662	54.33
9	B₂	3227	3113	13.60
10	B₂	1290	1244	45.04
11	B₂	776	748	44.94
12	B₂	478	461	1.92

Atom	y (Å)	z (Å)
C1	0.671	1.256
C2	-0.671	1.256
Br3	1.767	-0.278
Br4	-1.767	-0.278
H5	1.223	2.199
H6	-1.223	2.199

	C1	C2	Br3	Br4	H5	H6
C1		1.3422	1.8861	2.8813	1.0923	2.1158
C2	1.3422		2.8813	1.8861	2.1158	1.0923
Br3	1.8861	2.8813		3.5349	2.5363	3.8834
Br4	2.8813	1.8861	3.5349		3.8834	2.5363
H5	1.0923	2.1158	2.5363	3.8834		2.4464
H6	2.1158	1.0923	3.8834	2.5363	2.4464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.541	C1	C2	H6	120.361
C2	C1	Br3	125.541	C2	C1	H5	120.361
Br3	C1	H5	114.098	Br4	C2	H6	114.098

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

using model chemistry: CCD/aug-cc-pVDZ

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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