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	hartrees
Energy at 0K	-5222.724081
Energy at 298.15K	-5222.731798
HF Energy	-5221.817926
Nuclear repulsion energy	431.022780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	3081	0.21
2	A₁	1690	1576	25.19
3	A₁	1217	1135	2.40
4	A₁	611	570	6.51
5	A₁	111	104	0.05
6	A₂	965	900	0.00
7	A₂	399	372	0.00
8	B₁	730	681	58.46
9	B₂	3272	3051	16.22
10	B₂	1332	1242	42.01
11	B₂	790	737	48.96
12	B₂	488	455	1.53

Atom	y (Å)	z (Å)
C1	0.660	1.240
C2	-0.660	1.240
Br3	1.747	-0.275
Br4	-1.747	-0.275
H5	1.199	2.166
H6	-1.199	2.166

	C1	C2	Br3	Br4	H5	H6
C1		1.3204	1.8643	2.8442	1.0709	2.0766
C2	1.3204		2.8442	1.8643	2.0766	1.0709
Br3	1.8643	2.8442		3.4939	2.5014	3.8252
Br4	2.8442	1.8643	3.4939		3.8252	2.5014
H5	1.0709	2.0766	2.5014	3.8252		2.3972
H6	2.0766	1.0709	3.8252	2.5014	2.3972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.654	C1	C2	H6	120.181
C2	C1	Br3	125.654	C2	C1	H5	120.181
Br3	C1	H5	114.165	Br4	C2	H6	114.165

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

using model chemistry: MP3=FULL/cc-pVTZ

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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