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	hartrees
Energy at 0K	-637.453615
Energy at 298.15K	-637.455937
HF Energy	-637.453615
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3164	0.33
2	A'	3204	3063	4.54
3	A'	1747	1670	174.36
4	A'	1412	1350	2.49
5	A'	1220	1166	197.24
6	A'	972	929	39.54
7	A'	705	674	47.83
8	A'	440	421	0.94
9	A'	376	360	0.05
10	A"	869	831	62.71
11	A"	717	686	0.10
12	A"	545	521	1.72

Atom	x (Å)	y (Å)
C1	0.000	0.457
C2	-1.005	1.305
F3	1.266	0.837
Cl4	-0.150	-1.260
H5	-0.805	2.366
H6	-2.020	0.948

	C1	C2	F3	Cl4	H5	H6
C1		1.3151	1.3223	1.7238	2.0719	2.0792
C2	1.3151		2.3192	2.7044	1.0793	1.0766
F3	1.3223	2.3192		2.5308	2.5748	3.2888
Cl4	1.7238	2.7044	2.5308		3.6850	2.8941
H5	2.0719	1.0793	2.5748	3.6850		1.8675
H6	2.0792	1.0766	3.2888	2.8941	1.8675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.508	C1	C2	H6	120.437
C2	C1	F3	123.123	C2	C1	Cl4	125.187
F3	C1	Cl4	111.690	H5	C2	H6	120.055

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

using model chemistry: wB97X-D/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	0.219
2	C	-0.312
3	F	-0.133
4	Cl	-0.062
5	H	0.142
6	H	0.145

	x	y	z	Total
	-1.057	0.720	0.000	1.279
CHELPG
AIM
ESP

	x	y	z
x	5.302	-0.878	0.000
y	-0.878	7.116	0.000
z	0.000	0.000	3.267

<r²>	94.816
(<r²>)^1/2	9.737

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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