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	hartrees
Energy at 0K	-637.074110
Energy at 298.15K	-637.076296
HF Energy	-637.074110
Nuclear repulsion energy	147.699240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3218	0.38
2	A'	3124	3105	4.68
3	A'	1664	1654	159.10
4	A'	1338	1330	0.82
5	A'	1131	1124	187.90
6	A'	909	904	45.26
7	A'	675	671	45.33
8	A'	415	412	0.91
9	A'	360	357	0.02
10	A"	814	809	57.48
11	A"	685	680	0.05
12	A"	510	507	2.33

Atom	x (Å)	y (Å)
C1	0.000	0.457
C2	-1.005	1.339
F3	1.299	0.827
Cl4	-0.167	-1.272
H5	-0.784	2.411
H6	-2.041	0.992

	C1	C2	F3	Cl4	H5	H6
C1		1.3366	1.3507	1.7374	2.1054	2.1102
C2	1.3366		2.3599	2.7420	1.0953	1.0926
F3	1.3507	2.3599		2.5606	2.6166	3.3442
Cl4	1.7374	2.7420	2.5606		3.7348	2.9396
H5	2.1054	1.0953	2.6166	3.7348		1.8960
H6	2.1102	1.0926	3.3442	2.9396	1.8960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.605	C1	C2	H6	120.272
C2	C1	F3	122.843	C2	C1	Cl4	125.742
F3	C1	Cl4	111.415	H5	C2	H6	120.122

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

using model chemistry: PBEPBEultrafine/aug-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	0.412
2	C	0.814
3	F	-0.406
4	Cl	-0.089
5	H	-0.378
6	H	-0.352

	x	y	z	Total
	-1.112	0.671	0.000	1.298
CHELPG
AIM
ESP

	x	y	z
x	6.336	-0.845	0.000
y	-0.845	8.174	0.000
z	0.000	0.000	4.536

<r²>	97.226
(<r²>)^1/2	9.860

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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