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	hartrees
Energy at 0K	-5222.484634
Energy at 298.15K	-5222.492408
HF Energy	-5221.818025
Nuclear repulsion energy	430.904200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3347	3112	0.27
2	A₁	1739	1617	27.17
3	A₁	1246	1159	2.56
4	A₁	626	582	7.26
5	A₁	114	106	0.06
6	A₂	1000	930	0.00
7	A₂	408	379	0.00
8	B₁	746	694	59.72
9	B₂	3323	3089	18.33
10	B₂	1363	1267	48.58
11	B₂	811	754	54.06
12	B₂	501	466	1.80

Atom	y (Å)	z (Å)
C1	0.657	1.232
C2	-0.657	1.232
Br3	1.752	-0.273
Br4	-1.752	-0.273
H5	1.192	2.160
H6	-1.192	2.160

	C1	C2	Br3	Br4	H5	H6
C1		1.3146	1.8609	2.8407	1.0712	2.0692
C2	1.3146		2.8407	1.8609	2.0692	1.0712
Br3	1.8609	2.8407		3.5043	2.4967	3.8193
Br4	2.8407	1.8609	3.5043		3.8193	2.4967
H5	1.0712	2.0692	2.4967	3.8193		2.3838
H6	2.0692	1.0712	3.8193	2.4967	2.3838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	126.040	C1	C2	H6	119.937
C2	C1	Br3	126.040	C2	C1	H5	119.937
Br3	C1	H5	114.023	Br4	C2	H6	114.023

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

using model chemistry: CISD/cc-pVTZ

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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