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	hartrees
Energy at 0K	-637.434914
Energy at 298.15K	-637.437250
HF Energy	-637.434914
Nuclear repulsion energy	149.880219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	3157	1.25
2	A'	3198	3056	8.21
3	A'	1746	1669	163.56
4	A'	1408	1346	2.93
5	A'	1220	1166	191.72
6	A'	974	931	36.43
7	A'	707	676	45.29
8	A'	441	421	1.30
9	A'	371	355	0.06
10	A"	895	855	58.39
11	A"	739	706	0.05
12	A"	545	521	1.90

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-0.991	1.316
F3	1.275	0.822
Cl4	-0.161	-1.257
H5	-0.772	2.373
H6	-2.011	0.970

	C1	C2	F3	Cl4	H5	H6
C1		1.3145	1.3269	1.7175	2.0691	2.0759
C2	1.3145		2.3192	2.7037	1.0792	1.0764
F3	1.3269	2.3192		2.5265	2.5675	3.2884
Cl4	1.7175	2.7037	2.5265		3.6807	2.8944
H5	2.0691	1.0792	2.5675	3.6807		1.8717
H6	2.0759	1.0764	3.2884	2.8944	1.8717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.297	C1	C2	H6	120.180
C2	C1	F3	122.811	C2	C1	Cl4	125.656
F3	C1	Cl4	111.533	H5	C2	H6	120.523

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)

using model chemistry: M06-2X/aug-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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Number	Element	Mulliken
1	C	0.437
2	C	-0.872
3	F	-0.205
4	Cl	-0.029
5	H	0.272
6	H	0.397

	x	y	z	Total
	-1.227	0.693	0.000	1.409
CHELPG
AIM
ESP

	x	y	z
x	5.989	-0.845	0.000
y	-0.845	7.744	-0.000
z	0.000	-0.000	4.448

<r²>	94.872
(<r²>)^1/2	9.740

All results from a given calculation for C2H2ClF (1-chloro-1-fluoroethylene)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)