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	hartrees
Energy at 0K	-637.054769
Energy at 298.15K	-637.056961
HF Energy	-637.054769
Nuclear repulsion energy	147.847419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3221	0.48
2	A'	3123	3105	5.13
3	A'	1680	1670	158.29
4	A'	1329	1321	4.06
5	A'	1162	1155	196.89
6	A'	922	917	32.36
7	A'	671	667	49.50
8	A'	419	416	0.58
9	A'	362	360	0.10
10	A"	785	781	52.89
11	A"	690	686	0.13
12	A"	523	520	0.60

Atom	x (Å)	y (Å)
C1	0.000	0.461
C2	-1.030	1.315
F3	1.282	0.852
Cl4	-0.145	-1.274
H5	-0.827	2.393
H6	-2.060	0.945

	C1	C2	F3	Cl4	H5	H6
C1		1.3374	1.3403	1.7411	2.1018	2.1160
C2	1.3374		2.3574	2.7354	1.0975	1.0946
F3	1.3403	2.3574		2.5609	2.6122	3.3431
Cl4	1.7411	2.7354	2.5609		3.7301	2.9306
H5	2.1018	1.0975	2.6122	3.7301		1.9020
H6	2.1160	1.0946	3.3431	2.9306	1.9020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.031	C1	C2	H6	120.596
C2	C1	F3	123.372	C2	C1	Cl4	124.869
F3	C1	Cl4	111.759	H5	C2	H6	120.372

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

using model chemistry: PBEPBE/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	4.847	-0.829	0.000
y	-0.829	6.860	0.000
z	0.000	0.000	2.307

<r²>	96.690
(<r²>)^1/2	9.833

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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