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	hartrees
Energy at 0K	-51.517861
Energy at 298.15K	-51.519969
HF Energy	-51.517861
Nuclear repulsion energy	57.012924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3198	1.84
2	A'	3194	3093	2.01
3	A'	1705	1651	135.22
4	A'	1408	1364	0.20
5	A'	1146	1110	205.02
6	A'	909	880	46.78
7	A'	639	619	47.71
8	A'	395	383	1.46
9	A'	341	330	0.49
10	A"	906	878	108.13
11	A"	698	676	0.56
12	A"	467	453	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.480
C2	-1.012	1.387
F3	1.344	0.853
Cl4	-0.189	-1.318
H5	-0.770	2.454
H6	-2.052	1.064

	C1	C2	F3	Cl4	H5	H6
C1		1.3587	1.3948	1.8081	2.1180	2.1334
C2	1.3587		2.4156	2.8276	1.0933	1.0892
F3	1.3948	2.4156		2.6574	2.6515	3.4026
Cl4	1.8081	2.8276	2.6574		3.8159	3.0244
H5	2.1180	1.0933	2.6515	3.8159		1.8903
H6	2.1334	1.0892	3.4026	3.0244	1.8903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.103	C1	C2	H6	120.876
C2	C1	F3	122.628	C2	C1	Cl4	125.891
F3	C1	Cl4	111.481	H5	C2	H6	120.021

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

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	-0.004
2	C	-0.331
3	F	-0.138
4	Cl	0.025
5	H	0.204
6	H	0.244

	x	y	z	Total
	-1.897	1.135	0.000	2.211
CHELPG
AIM
ESP

	x	y	z
x	4.411	-0.857	0.000
y	-0.857	6.889	0.000
z	0.000	0.000	1.725

<r²>	72.723
(<r²>)^1/2	8.528

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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