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	hartrees
Energy at 0K	-637.022365
Energy at 298.15K	-637.024547
HF Energy	-637.022365
Nuclear repulsion energy	147.960309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3203	0.14
2	A'	3141	3098	4.39
3	A'	1686	1663	147.71
4	A'	1367	1348	4.66
5	A'	1175	1159	200.72
6	A'	934	921	26.18
7	A'	671	662	51.45
8	A'	420	414	0.57
9	A'	363	358	0.10
10	A"	787	776	63.33
11	A"	694	685	0.59
12	A"	516	509	0.07

Atom	x (Å)	y (Å)
C1	0.000	0.461
C2	-1.025	1.316
F3	1.281	0.851
Cl4	-0.147	-1.275
H5	-0.826	2.388
H6	-2.052	0.957

	C1	C2	F3	Cl4	H5	H6
C1		1.3350	1.3387	1.7422	2.0964	2.1111
C2	1.3350		2.3528	2.7357	1.0906	1.0879
F3	1.3387	2.3528		2.5603	2.6080	3.3347
Cl4	1.7422	2.7357	2.5603		3.7253	2.9340
H5	2.0964	1.0906	2.6080	3.7253		1.8854
H6	2.1111	1.0879	3.3347	2.9340	1.8854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.257	C1	C2	H6	120.884
C2	C1	F3	123.282	C2	C1	Cl4	124.977
F3	C1	Cl4	111.742	H5	C2	H6	119.859

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

using model chemistry: PBEPBE/6-31G**

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	0.192
2	C	-0.303
3	F	-0.204
4	Cl	0.024
5	H	0.146
6	H	0.146

	x	y	z	Total
	-0.870	0.809	0.000	1.188
CHELPG
AIM
ESP

	x	y	z
x	4.802	-0.824	0.000
y	-0.824	6.753	0.000
z	0.000	0.000	2.249

<r²>	96.506
(<r²>)^1/2	9.824

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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