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	hartrees
Energy at 0K	-637.037713
Energy at 298.15K	-637.039891
HF Energy	-637.037713
Nuclear repulsion energy	147.831155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3204	0.36
2	A'	3135	3099	5.20
3	A'	1666	1647	170.01
4	A'	1357	1342	1.88
5	A'	1145	1132	224.13
6	A'	919	908	44.49
7	A'	676	669	50.37
8	A'	419	414	0.82
9	A'	364	360	0.04
10	A"	799	790	72.21
11	A"	687	679	0.10
12	A"	509	503	1.92

Atom	x (Å)	y (Å)
C1	0.000	0.455
C2	-0.998	1.343
F3	1.299	0.823
Cl4	-0.171	-1.271
H5	-0.768	2.410
H6	-2.035	1.010

	C1	C2	F3	Cl4	H5	H6
C1		1.3359	1.3503	1.7350	2.1001	2.1090
C2	1.3359		2.3556	2.7424	1.0911	1.0888
F3	1.3503	2.3556		2.5587	2.6063	3.3393
Cl4	1.7350	2.7424	2.5587		3.7294	2.9461
H5	2.1001	1.0911	2.6063	3.7294		1.8877
H6	2.1090	1.0888	3.3393	2.9461	1.8877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.494	C1	C2	H6	120.524
C2	C1	F3	122.541	C2	C1	Cl4	126.013
F3	C1	Cl4	111.446	H5	C2	H6	119.981

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

using model chemistry: PBEPBEultrafine/6-31+G**

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	0.194
2	C	-0.452
3	F	-0.212
4	Cl	0.108
5	H	0.182
6	H	0.180

	x	y	z	Total
	-1.198	0.657	0.000	1.367
CHELPG
AIM
ESP

	x	y	z
x	5.624	-0.910	0.000
y	-0.910	7.493	0.000
z	0.000	0.000	3.699

<r²>	97.153
(<r²>)^1/2	9.857

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

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

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