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	hartrees
Energy at 0K	-5222.193990
Energy at 298.15K	-5222.201632
HF Energy	-5221.639942
Nuclear repulsion energy	425.144352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3117	1.54
2	A₁	1671	1599	24.84
3	A₁	1192	1140	2.45
4	A₁	599	573	7.20
5	A₁	110	106	0.05
6	A₂	911	871	0.00
7	A₂	378	362	0.00
8	B₁	700	669	55.90
9	B₂	3235	3095	11.63
10	B₂	1303	1247	42.76
11	B₂	778	744	46.16
12	B₂	479	458	1.46

Atom	y (Å)	z (Å)
C1	0.671	1.251
C2	-0.671	1.251
Br3	1.774	-0.277
Br4	-1.774	-0.277
H5	1.218	2.199
H6	-1.218	2.199

	C1	C2	Br3	Br4	H5	H6
C1		1.3416	1.8845	2.8827	1.0944	2.1131
C2	1.3416		2.8827	1.8845	2.1131	1.0944
Br3	1.8845	2.8827		3.5473	2.5375	3.8832
Br4	2.8827	1.8845	3.5473		3.8832	2.5375
H5	1.0944	2.1131	2.5375	3.8832		2.4358
H6	2.1131	1.0944	3.8832	2.5375	2.4358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.819	C1	C2	H6	119.995
C2	C1	Br3	125.819	C2	C1	H5	119.995
Br3	C1	H5	114.186	Br4	C2	H6	114.186

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

using model chemistry: CCD/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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