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	hartrees
Energy at 0K	-5222.199105
Energy at 298.15K	-5222.206729
HF Energy	-5221.639745
Nuclear repulsion energy	424.745515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3119	1.67
2	A₁	1656	1589	25.96
3	A₁	1186	1137	2.44
4	A₁	594	570	7.48
5	A₁	110	105	0.04
6	A₂	899	863	0.00
7	A₂	375	360	0.00
8	B₁	695	667	55.89
9	B₂	3228	3097	12.24
10	B₂	1295	1243	44.98
11	B₂	771	740	50.32
12	B₂	476	456	1.66

Atom	y (Å)	z (Å)
C1	0.672	1.253
C2	-0.672	1.253
Br3	1.775	-0.278
Br4	-1.775	-0.278
H5	1.220	2.201
H6	-1.220	2.201

	C1	C2	Br3	Br4	H5	H6
C1		1.3439	1.8867	2.8861	1.0946	2.1162
C2	1.3439		2.8861	1.8867	2.1162	1.0946
Br3	1.8867	2.8861		3.5495	2.5395	3.8874
Br4	2.8861	1.8867	3.5495		3.8874	2.5395
H5	1.0946	2.1162	2.5395	3.8874		2.4406
H6	2.1162	1.0946	3.8874	2.5395	2.4406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.768	C1	C2	H6	120.062
C2	C1	Br3	125.768	C2	C1	H5	120.062
Br3	C1	H5	114.170	Br4	C2	H6	114.170

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

using model chemistry: QCISD/cc-pVDZ

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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