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	hartrees
Energy at 0K	-637.529087
Energy at 298.15K	-637.531381
HF Energy	-637.529087
Nuclear repulsion energy	149.120467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3172	0.26
2	A'	3180	3074	3.73
3	A'	1713	1656	162.64
4	A'	1409	1361	2.48
5	A'	1190	1151	183.78
6	A'	960	928	45.64
7	A'	686	663	49.78
8	A'	433	418	0.70
9	A'	373	360	0.05
10	A"	868	839	59.12
11	A"	724	700	0.11
12	A"	537	519	1.29

Atom	x (Å)	y (Å)
C1	0.000	0.458
C2	-0.999	1.318
F3	1.278	0.833
Cl4	-0.159	-1.265
H5	-0.789	2.377
H6	-2.020	0.975

	C1	C2	F3	Cl4	H5	H6
C1		1.3181	1.3317	1.7308	2.0742	2.0846
C2	1.3181		2.3281	2.7164	1.0794	1.0764
F3	1.3317	2.3281		2.5430	2.5793	3.3005
Cl4	1.7308	2.7164	2.5430		3.6959	2.9123
H5	2.0742	1.0794	2.5793	3.6959		1.8653
H6	2.0846	1.0764	3.3005	2.9123	1.8653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.459	C1	C2	H6	120.719
C2	C1	F3	122.943	C2	C1	Cl4	125.442
F3	C1	Cl4	111.614	H5	C2	H6	119.821

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

using model chemistry: B3LYP/cc-pVTZ

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	0.227
2	C	-0.300
3	F	-0.144
4	Cl	-0.071
5	H	0.143
6	H	0.145

	x	y	z	Total
	-1.081	0.677	0.000	1.275
CHELPG
AIM
ESP

	x	y	z
x	5.331	-0.856	0.000
y	-0.856	7.249	0.000
z	0.000	0.000	3.275

<r²>	95.641
(<r²>)^1/2	9.780

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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