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	hartrees
Energy at 0K	-5222.446291
Energy at 298.15K	-5222.453905
HF Energy	-5221.712281
Nuclear repulsion energy	426.765155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3086	0.76
2	A₁	1679	1570	28.27
3	A₁	1218	1139	2.64
4	A₁	590	552	8.22
5	A₁	111	104	0.05
6	A₂	854	799	0.00
7	A₂	367	343	0.00
8	B₁	695	650	66.41
9	B₂	3277	3065	14.11
10	B₂	1324	1238	48.65
11	B₂	779	728	53.45
12	B₂	476	446	2.19

Atom	y (Å)	z (Å)
C1	0.662	1.251
C2	-0.662	1.251
Br3	1.766	-0.277
Br4	-1.766	-0.277
H5	1.209	2.180
H6	-1.209	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3237	1.8852	2.8686	1.0777	2.0884
C2	1.3237		2.8686	1.8852	2.0884	1.0777
Br3	1.8852	2.8686		3.5318	2.5192	3.8580
Br4	2.8686	1.8852	3.5318		3.8580	2.5192
H5	1.0777	2.0884	2.5192	3.8580		2.4174
H6	2.0884	1.0777	3.8580	2.5192	2.4174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.847	C1	C2	H6	120.490
C2	C1	Br3	125.847	C2	C1	H5	120.490
Br3	C1	H5	113.663	Br4	C2	H6	113.663

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

using model chemistry: MP3/TZVP

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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