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	hartrees
Energy at 0K	-5225.013936
Energy at 298.15K	-5225.021571
HF Energy	-5224.527036
Nuclear repulsion energy	428.119617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3238	3238	0.00
2	A₁	1622	1622	31.18
3	A₁	1188	1188	1.66
4	A₁	594	594	7.07
5	A₁	109	109	0.04
6	A₂	910	910	0.00
7	A₂	385	385	0.00
8	B₁	691	691	56.77
9	B₂	3215	3215	17.65
10	B₂	1293	1293	46.64
11	B₂	768	768	60.28
12	B₂	478	478	2.50

Atom	y (Å)	z (Å)
C1	0.663	1.245
C2	-0.663	1.245
Br3	1.761	-0.276
Br4	-1.761	-0.276
H5	1.209	2.175
H6	-1.209	2.175

	C1	C2	Br3	Br4	H5	H6
C1		1.3255	1.8757	2.8612	1.0785	2.0902
C2	1.3255		2.8612	1.8757	2.0902	1.0785
Br3	1.8757	2.8612		3.5217	2.5120	3.8505
Br4	2.8612	1.8757	3.5217		3.8505	2.5120
H5	1.0785	2.0902	2.5120	3.8505		2.4183
H6	2.0902	1.0785	3.8505	2.5120	2.4183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.832	C1	C2	H6	120.438
C2	C1	Br3	125.832	C2	C1	H5	120.438
Br3	C1	H5	113.730	Br4	C2	H6	113.730

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

using model chemistry: B2PLYP=FULL/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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