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	hartrees
Energy at 0K	-5217.243145
Energy at 298.15K	-5217.250790
HF Energy	-5216.679388
Nuclear repulsion energy	429.252864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3310	3109	0.26
2	A₁	1643	1543	28.54
3	A₁	1219	1145	1.35
4	A₁	597	561	7.39
5	A₁	107	100	0.04
6	A₂	899	844	0.00
7	A₂	395	371	0.00
8	B₁	708	665	70.02
9	B₂	3288	3088	18.27
10	B₂	1325	1245	43.59
11	B₂	766	720	61.16
12	B₂	484	454	1.77

Atom	y (Å)	z (Å)
C1	0.668	1.248
C2	-0.668	1.248
Br3	1.752	-0.276
Br4	-1.752	-0.276
H5	1.211	2.181
H6	-1.211	2.181

	C1	C2	Br3	Br4	H5	H6
C1		1.3356	1.8707	2.8600	1.0795	2.0978
C2	1.3356		2.8600	1.8707	2.0978	1.0795
Br3	1.8707	2.8600		3.5041	2.5160	3.8495
Br4	2.8600	1.8707	3.5041		3.8495	2.5160
H5	1.0795	2.0978	2.5160	3.8495		2.4225
H6	2.0978	1.0795	3.8495	2.5160	2.4225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.422	C1	C2	H6	120.228
C2	C1	Br3	125.422	C2	C1	H5	120.228
Br3	C1	H5	114.350	Br4	C2	H6	114.350

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

using model chemistry: MP2=FULL/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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