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	hartrees
Energy at 0K	-637.347048
Energy at 298.15K	-637.349257
HF Energy	-637.347048
Nuclear repulsion energy	148.619545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3248	0.17
2	A'	3140	3140	2.35
3	A'	1679	1679	142.12
4	A'	1377	1377	3.61
5	A'	1164	1164	180.67
6	A'	944	944	31.50
7	A'	662	662	53.27
8	A'	422	422	0.38
9	A'	365	365	0.13
10	A"	802	802	53.04
11	A"	702	702	0.23
12	A"	526	526	0.16

Atom	x (Å)	y (Å)
C1	0.000	0.463
C2	-1.036	1.298
F3	1.267	0.859
Cl4	-0.134	-1.270
H5	-0.860	2.370
H6	-2.049	0.917

	C1	C2	F3	Cl4	H5	H6
C1		1.3304	1.3275	1.7386	2.0916	2.0988
C2	1.3304		2.3442	2.7221	1.0858	1.0829
F3	1.3275	2.3442		2.5491	2.6089	3.3167
Cl4	1.7386	2.7221	2.5491		3.7117	2.9070
H5	2.0916	1.0858	2.6089	3.7117		1.8775
H6	2.0988	1.0829	3.3167	2.9070	1.8775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.570	C1	C2	H6	120.500
C2	C1	F3	123.763	C2	C1	Cl4	124.453
F3	C1	Cl4	111.784	H5	C2	H6	119.929

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

using model chemistry: B97D3/6-31G(2df,p)

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	0.310
2	C	-0.413
3	F	-0.068
4	Cl	-0.128
5	H	0.145
6	H	0.154

	x	y	z	Total
	-0.842	0.796	0.000	1.159
CHELPG
AIM
ESP

	x	y	z
x	5.238	-0.848	0.000
y	-0.848	7.062	0.000
z	0.000	0.000	2.976

<r²>	95.701
(<r²>)^1/2	9.783

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

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

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