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	hartrees
Energy at 0K	-637.135001
Energy at 298.15K	-637.137309
HF Energy	-637.135001
Nuclear repulsion energy	149.671188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3172	0.08
2	A'	3203	3070	3.17
3	A'	1749	1676	175.71
4	A'	1414	1355	4.40
5	A'	1222	1171	224.21
6	A'	974	934	37.27
7	A'	707	677	52.96
8	A'	440	422	1.18
9	A'	378	362	0.03
10	A"	852	817	76.28
11	A"	729	699	0.23
12	A"	541	519	1.17

Atom	x (Å)	y (Å)
C1	0.000	0.455
C2	-1.012	1.301
F3	1.266	0.841
Cl4	-0.145	-1.260
H5	-0.814	2.366
H6	-2.033	0.948

	C1	C2	F3	Cl4	H5	H6
C1		1.3190	1.3233	1.7215	2.0764	2.0918
C2	1.3190		2.3244	2.7036	1.0829	1.0800
F3	1.3233	2.3244		2.5307	2.5792	3.3008
Cl4	1.7215	2.7036	2.5307		3.6866	2.9046
H5	2.0764	1.0829	2.5792	3.6866		1.8696
H6	2.0918	1.0800	3.3008	2.9046	1.8696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.322	C1	C2	H6	121.049
C2	C1	F3	123.208	C2	C1	Cl4	125.019
F3	C1	Cl4	111.773	H5	C2	H6	119.629

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

using model chemistry: PBE1PBE/6-311G*

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	0.181
2	C	-0.486
3	F	-0.176
4	Cl	-0.035
5	H	0.258
6	H	0.259

	x	y	z	Total
	-1.164	0.788	0.000	1.406
CHELPG
AIM
ESP

	x	y	z
x	4.673	-0.889	0.000
y	-0.889	6.754	0.000
z	0.000	0.000	2.377

<r²>	95.077
(<r²>)^1/2	9.751

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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