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	hartrees
Energy at 0K	-5219.802323
Energy at 298.15K
HF Energy	-5219.615570
Nuclear repulsion energy	427.022532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3273	0.30
2	A₁	1645	1645	33.46
3	A₁	1207	1207	1.32
4	A₁	581	581	8.23
5	A₁	103	103	0.04
6	A₂	911	911	0.00
7	A₂	402	402	0.00
8	B₁	704	704	69.90
9	B₂	3251	3251	18.18
10	B₂	1308	1308	48.89
11	B₂	750	750	72.96
12	B₂	478	478	2.78

Atom	y (Å)	z (Å)
C1	0.666	1.246
C2	-0.666	1.246
Br3	1.767	-0.276
Br4	-1.767	-0.276
H5	1.213	2.178
H6	-1.213	2.178

	C1	C2	Br3	Br4	H5	H6
C1		1.3314	1.8782	2.8691	1.0810	2.0972
C2	1.3314		2.8691	1.8782	2.0972	1.0810
Br3	1.8782	2.8691		3.5332	2.5156	3.8599
Br4	2.8691	1.8782	3.5332		3.8599	2.5156
H5	1.0810	2.0972	2.5156	3.8599		2.4258
H6	2.0972	1.0810	3.8599	2.5156	2.4258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.885	C1	C2	H6	120.410
C2	C1	Br3	125.885	C2	C1	H5	120.410
Br3	C1	H5	113.705	Br4	C2	H6	113.705

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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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