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	hartrees
Energy at 0K	-5222.325258
Energy at 298.15K	-5222.332907
HF Energy	-5221.640554
Nuclear repulsion energy	428.115384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3094	0.21
2	A₁	1649	1573	25.45
3	A₁	1198	1142	2.22
4	A₁	602	574	6.17
5	A₁	111	106	0.05
6	A₂	916	873	0.00
7	A₂	380	362	0.00
8	B₁	695	663	53.25
9	B₂	3220	3071	15.51
10	B₂	1308	1247	45.66
11	B₂	779	742	49.03
12	B₂	479	457	1.48

Atom	y (Å)	z (Å)
C1	0.664	1.246
C2	-0.664	1.246
Br3	1.760	-0.276
Br4	-1.760	-0.276
H5	1.208	2.180
H6	-1.208	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3286	1.8755	2.8625	1.0803	2.0920
C2	1.3286		2.8625	1.8755	2.0920	1.0803
Br3	1.8755	2.8625		3.5199	2.5172	3.8521
Br4	2.8625	1.8755	3.5199		3.8521	2.5172
H5	1.0803	2.0920	2.5172	3.8521		2.4155
H6	2.0920	1.0803	3.8521	2.5172	2.4155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.746	C1	C2	H6	120.203
C2	C1	Br3	125.746	C2	C1	H5	120.203
Br3	C1	H5	114.051	Br4	C2	H6	114.051

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

using model chemistry: QCISD/6-311+G(3df,2p)

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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