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	hartrees
Energy at 0K	-633.844577
Energy at 298.15K	-633.846717
HF Energy	-633.844577
Nuclear repulsion energy	144.372813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3216	1.05
2	A'	3141	3113	7.20
3	A'	1704	1688	127.65
4	A'	1432	1419	3.97
5	A'	1178	1167	182.66
6	A'	960	952	20.04
7	A'	593	588	63.63
8	A'	395	391	0.25
9	A'	341	337	0.75
10	A"	877	869	95.93
11	A"	701	695	0.21
12	A"	514	509	0.45

Atom	x (Å)	y (Å)
C1	0.000	0.517
C2	-1.091	1.273
F3	1.286	0.945
Cl4	-0.115	-1.319
H5	-1.000	2.360
H6	-2.079	0.819

	C1	C2	F3	Cl4	H5	H6
C1		1.3271	1.3551	1.8404	2.0968	2.1003
C2	1.3271		2.3991	2.7703	1.0909	1.0872
F3	1.3551	2.3991		2.6627	2.6883	3.3667
Cl4	1.8404	2.7703	2.6627		3.7847	2.9033
H5	2.0968	1.0909	2.6883	3.7847		1.8813
H6	2.1003	1.0872	3.3667	2.9033	1.8813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.943	C1	C2	H6	120.578
C2	C1	F3	126.871	C2	C1	Cl4	121.146
F3	C1	Cl4	111.983	H5	C2	H6	119.479

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

using model chemistry: PBEPBE/3-21G

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	0.058
2	C	-0.431
3	F	-0.198
4	Cl	0.081
5	H	0.245
6	H	0.245

	x	y	z	Total
	-1.045	1.443	0.000	1.782
CHELPG
AIM
ESP

	x	y	z
x	4.360	-0.760	0.000
y	-0.760	6.418	0.000
z	0.000	0.000	1.416

<r²>	100.853
(<r²>)^1/2	10.043

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

using model chemistry: PBEPBE/3-21G

States and conformations

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