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	hartrees
Energy at 0K	-637.417850
Energy at 298.15K	-637.420116
HF Energy	-637.417850
Nuclear repulsion energy	148.526767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3177	0.09
2	A'	3202	3077	3.92
3	A'	1738	1670	147.80
4	A'	1418	1362	4.73
5	A'	1210	1163	197.18
6	A'	967	929	32.47
7	A'	687	660	52.43
8	A'	430	413	0.78
9	A'	372	357	0.14
10	A"	851	818	60.82
11	A"	723	695	0.56
12	A"	530	509	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.462
C2	-1.011	1.318
F3	1.278	0.843
Cl4	-0.153	-1.272
H5	-0.804	2.381
H6	-2.034	0.971

	C1	C2	F3	Cl4	H5	H6
C1		1.3247	1.3333	1.7401	2.0813	2.0964
C2	1.3247		2.3373	2.7282	1.0830	1.0803
F3	1.3333	2.3373		2.5527	2.5891	3.3139
Cl4	1.7401	2.7282	2.5527		3.7106	2.9269
H5	2.0813	1.0830	2.5891	3.7106		1.8710
H6	2.0964	1.0803	3.3139	2.9269	1.8710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.298	C1	C2	H6	120.971
C2	C1	F3	123.126	C2	C1	Cl4	125.240
F3	C1	Cl4	111.634	H5	C2	H6	119.731

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

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	C	0.241
2	C	-0.278
3	F	-0.241
4	Cl	0.008
5	H	0.135
6	H	0.135

	x	y	z	Total
	-1.016	0.834	0.000	1.314
CHELPG
AIM
ESP

	x	y	z
x	4.665	-0.843	0.000
y	-0.843	6.575	0.000
z	0.000	0.000	2.214

<r²>	95.996
(<r²>)^1/2	9.798

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

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

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