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	hartrees
Energy at 0K	-636.060074
Energy at 298.15K	-636.062251
HF Energy	-635.693187
Nuclear repulsion energy	140.453677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3136	5.68
2	A'	3233	3102	1.96
3	A'	1726	1656	21.10
4	A'	1380	1324	18.10
5	A'	1261	1210	6.55
6	A'	1039	997	59.18
7	A'	757	727	9.55
8	A'	609	585	20.82
9	A'	194	187	2.22
10	A"	913	876	1.85
11	A"	769	738	44.83
12	A"	432	415	8.81

Atom	x (Å)	y (Å)
C1	0.000	0.909
C2	1.273	0.497
Cl3	-1.418	-0.225
F4	1.622	-0.859
H5	-0.270	1.960
H6	2.137	1.157

	C1	C2	Cl3	F4	H5	H6
C1		1.3378	1.8152	2.3996	1.0855	2.1515
C2	1.3378		2.7856	1.4005	2.1266	1.0875
Cl3	1.8152	2.7856		3.1055	2.4679	3.8139
F4	2.3996	1.4005	3.1055		3.3957	2.0809
H5	1.0855	2.1266	2.4679	3.3957		2.5379
H6	2.1515	1.0875	3.8139	2.0809	2.5379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.389	C1	C2	H6	124.697
C2	C1	Cl3	123.416	C2	C1	H5	122.359
Cl3	C1	H5	114.226	F4	C2	H6	112.914

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

using model chemistry: CCD/6-31G

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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