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	hartrees
Energy at 0K	-5217.155710
Energy at 298.15K	-5217.163319
HF Energy	-5216.642069
Nuclear repulsion energy	428.439072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3084	1.21
2	A₁	1673	1580	21.63
3	A₁	1210	1142	2.36
4	A₁	587	554	8.83
5	A₁	118	112	0.05
6	A₂	900	850	0.00
7	A₂	371	350	0.00
8	B₁	709	669	58.74
9	B₂	3244	3064	11.05
10	B₂	1319	1246	38.99
11	B₂	770	727	46.26
12	B₂	470	444	2.93

Atom	y (Å)	z (Å)
C1	0.667	1.274
C2	-0.667	1.274
Br3	1.743	-0.281
Br4	-1.743	-0.281
H5	1.228	2.203
H6	-1.228	2.203

	C1	C2	Br3	Br4	H5	H6
C1		1.3331	1.8920	2.8683	1.0853	2.1101
C2	1.3331		2.8683	1.8920	2.1101	1.0853
Br3	1.8920	2.8683		3.4861	2.5374	3.8731
Br4	2.8683	1.8920	3.4861		3.8731	2.5374
H5	1.0853	2.1101	2.5374	3.8731		2.4563
H6	2.1101	1.0853	3.8731	2.5374	2.4563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.680	C1	C2	H6	121.160
C2	C1	Br3	124.680	C2	C1	H5	121.160
Br3	C1	H5	114.161	Br4	C2	H6	114.161

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

using model chemistry: CCSD/6-31G*

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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