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	hartrees
Energy at 0K	-637.159170
Energy at 298.15K
HF Energy	-636.918159
Nuclear repulsion energy	145.610501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3284	8.29
2	A'	3237	3237	4.17
3	A'	1736	1736	57.14
4	A'	1374	1374	22.94
5	A'	1279	1279	35.83
6	A'	1100	1100	70.07
7	A'	823	823	16.28
8	A'	668	668	21.68
9	A'	197	197	1.24
10	A"	902	902	0.21
11	A"	770	770	33.04
12	A"	464	464	6.75

Atom	x (Å)	y (Å)
C1	0.000	0.871
C2	1.245	0.418
Cl3	-1.374	-0.171
F4	1.554	-0.870
H5	-0.211	1.928
H6	2.106	1.074

	C1	C2	Cl3	F4	H5	H6
C1		1.3251	1.7238	2.3331	1.0780	2.1162
C2	1.3251		2.6845	1.3242	2.0976	1.0823
Cl3	1.7238	2.6845		3.0096	2.3995	3.6960
F4	2.3331	1.3242	3.0096		3.3076	2.0208
H5	1.0780	2.0976	2.3995	3.3076		2.4694
H6	2.1162	1.0823	3.6960	2.0208	2.4694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.432	C1	C2	H6	122.732
C2	C1	Cl3	122.858	C2	C1	H5	121.237
Cl3	C1	H5	115.905	F4	C2	H6	113.836

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: B2PLYP=FULLultrafine/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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