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	hartrees
Energy at 0K	-5220.193978
Energy at 298.15K	-5220.201663
HF Energy	-5219.934231
Nuclear repulsion energy	435.265751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3258	0.34
2	A₁	1638	1638	24.19
3	A₁	1195	1195	1.26
4	A₁	622	622	7.58
5	A₁	113	113	0.05
6	A₂	910	910	0.00
7	A₂	396	396	0.00
8	B₁	705	705	47.38
9	B₂	3236	3236	14.32
10	B₂	1297	1297	35.57
11	B₂	797	797	51.10
12	B₂	487	487	1.67

Atom	y (Å)	z (Å)
C1	0.665	1.245
C2	-0.665	1.245
Br3	1.719	-0.276
Br4	-1.719	-0.276
H5	1.213	2.176
H6	-1.213	2.176

	C1	C2	Br3	Br4	H5	H6
C1		1.3297	1.8500	2.8272	1.0807	2.0962
C2	1.3297		2.8272	1.8500	2.0962	1.0807
Br3	1.8500	2.8272		3.4376	2.5033	3.8219
Br4	2.8272	1.8500	3.4376		3.8219	2.5033
H5	1.0807	2.0962	2.5033	3.8219		2.4263
H6	2.0962	1.0807	3.8219	2.5033	2.4263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.729	C1	C2	H6	120.491
C2	C1	Br3	124.729	C2	C1	H5	120.491
Br3	C1	H5	114.780	Br4	C2	H6	114.780

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

using model chemistry: B2PLYP=FULL/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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