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	hartrees
Energy at 0K	-5217.665945
Energy at 298.15K	-5217.673644
HF Energy	-5217.012711
Nuclear repulsion energy	434.105246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3097	0.27
2	A₁	1668	1577	18.89
3	A₁	1207	1141	1.49
4	A₁	625	591	6.61
5	A₁	116	110	0.06
6	A₂	931	880	0.00
7	A₂	389	368	0.00
8	B₁	715	676	47.17
9	B₂	3253	3076	13.91
10	B₂	1317	1246	35.40
11	B₂	803	759	41.15
12	B₂	486	460	1.10

Atom	y (Å)	z (Å)
C1	0.665	1.248
C2	-0.665	1.248
Br3	1.724	-0.276
Br4	-1.724	-0.276
H5	1.212	2.182
H6	-1.212	2.182

	C1	C2	Br3	Br4	H5	H6
C1		1.3305	1.8560	2.8339	1.0814	2.0962
C2	1.3305		2.8339	1.8560	2.0962	1.0814
Br3	1.8560	2.8339		3.4470	2.5106	3.8284
Br4	2.8339	1.8560	3.4470		3.8284	2.5106
H5	1.0814	2.0962	2.5106	3.8284		2.4235
H6	2.0962	1.0814	3.8284	2.5106	2.4235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.764	C1	C2	H6	120.355
C2	C1	Br3	124.764	C2	C1	H5	120.355
Br3	C1	H5	114.881	Br4	C2	H6	114.881

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

using model chemistry: CCSD/6-31G(2df,p)

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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