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	hartrees
Energy at 0K	-5217.157096
Energy at 298.15K	-5217.164700
HF Energy	-5216.641988
Nuclear repulsion energy	428.302736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3107	1.37
2	A₁	1668	1589	22.05
3	A₁	1208	1150	2.34
4	A₁	585	557	9.01
5	A₁	118	112	0.05
6	A₂	897	854	0.00
7	A₂	370	352	0.00
8	B₁	708	674	58.73
9	B₂	3241	3087	11.35
10	B₂	1316	1254	38.89
11	B₂	768	731	46.84
12	B₂	469	447	3.01

Atom	y (Å)	z (Å)
C1	0.667	1.275
C2	-0.667	1.275
Br3	1.743	-0.282
Br4	-1.743	-0.282
H5	1.229	2.204
H6	-1.229	2.204

	C1	C2	Br3	Br4	H5	H6
C1		1.3339	1.8928	2.8695	1.0855	2.1114
C2	1.3339		2.8695	1.8928	2.1114	1.0855
Br3	1.8928	2.8695		3.4866	2.5382	3.8748
Br4	2.8695	1.8928	3.4866		3.8748	2.5382
H5	1.0855	2.1114	2.5382	3.8748		2.4585
H6	2.1114	1.0855	3.8748	2.5382	2.4585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.656	C1	C2	H6	121.196
C2	C1	Br3	124.656	C2	C1	H5	121.196
Br3	C1	H5	114.148	Br4	C2	H6	114.148

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

using model chemistry: QCISD/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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