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	hartrees
Energy at 0K	-637.054756
Energy at 298.15K	-637.056949
HF Energy	-637.054756
Nuclear repulsion energy	147.845400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3220	0.48
2	A'	3122	3104	5.13
3	A'	1679	1670	158.28
4	A'	1330	1322	4.07
5	A'	1162	1155	197.11
6	A'	923	918	32.46
7	A'	672	668	49.27
8	A'	419	416	0.59
9	A'	362	360	0.10
10	A"	785	780	52.90
11	A"	690	686	0.11
12	A"	523	520	0.60

Atom	x (Å)	y (Å)
C1	0.000	0.461
C2	-1.030	1.314
F3	1.282	0.853
Cl4	-0.145	-1.274
H5	-0.829	2.393
H6	-2.060	0.943

	C1	C2	F3	Cl4	H5	H6
C1		1.3374	1.3403	1.7412	2.1020	2.1158
C2	1.3374		2.3577	2.7351	1.0975	1.0946
F3	1.3403	2.3577		2.5610	2.6129	3.3432
Cl4	1.7412	2.7351	2.5610		3.7300	2.9296
H5	2.1020	1.0975	2.6129	3.7300		1.9020
H6	2.1158	1.0946	3.3432	2.9296	1.9020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.047	C1	C2	H6	120.580
C2	C1	F3	123.397	C2	C1	Cl4	124.836
F3	C1	Cl4	111.767	H5	C2	H6	120.373

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.021
2	C	0.010
3	F	-0.098
4	Cl	-0.039
5	H	0.052
6	H	0.054

	x	y	z	Total
	-0.850	0.649	0.000	1.070
CHELPG
AIM
ESP

	x	y	z
x	4.849	-0.830	0.000
y	-0.830	6.859	0.000
z	0.000	0.000	2.307

<r²>	96.689
(<r²>)^1/2	9.833

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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