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	hartrees
Energy at 0K	-5217.175654
Energy at 298.15K	-5217.183280
HF Energy	-5216.679247
Nuclear repulsion energy	428.335540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	3110	0.27
2	A₁	1638	1541	28.47
3	A₁	1216	1143	1.40
4	A₁	594	559	7.51
5	A₁	107	101	0.04
6	A₂	884	832	0.00
7	A₂	388	365	0.00
8	B₁	701	659	69.98
9	B₂	3285	3090	18.18
10	B₂	1322	1243	44.56
11	B₂	763	718	60.78
12	B₂	481	452	1.85

Atom	y (Å)	z (Å)
C1	0.669	1.251
C2	-0.669	1.251
Br3	1.756	-0.277
Br4	-1.756	-0.277
H5	1.213	2.184
H6	-1.213	2.184

	C1	C2	Br3	Br4	H5	H6
C1		1.3373	1.8751	2.8657	1.0806	2.1005
C2	1.3373		2.8657	1.8751	2.1005	1.0806
Br3	1.8751	2.8657		3.5119	2.5201	3.8564
Br4	2.8657	1.8751	3.5119		3.8564	2.5201
H5	1.0806	2.1005	2.5201	3.8564		2.4263
H6	2.1005	1.0806	3.8564	2.5201	2.4263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.442	C1	C2	H6	120.259
C2	C1	Br3	125.442	C2	C1	H5	120.259
Br3	C1	H5	114.299	Br4	C2	H6	114.299

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

using model chemistry: MP2/6-31+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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