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	hartrees
Energy at 0K	-633.855243
Energy at 298.15K	-633.857463
HF Energy	-633.737631
Nuclear repulsion energy	144.843607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3337	1.07
2	A'	3234	3234	6.31
3	A'	1751	1751	116.68
4	A'	1501	1501	2.37
5	A'	1222	1222	175.84
6	A'	994	994	27.84
7	A'	609	609	60.56
8	A'	404	404	0.16
9	A'	346	346	0.88
10	A"	954	954	90.44
11	A"	742	742	0.59
12	A"	522	522	0.04

Atom	x (Å)	y (Å)
C1	0.000	0.514
C2	-1.065	1.290
F3	1.290	0.926
Cl4	-0.130	-1.317
H5	-0.949	2.364
H6	-2.056	0.866

	C1	C2	F3	Cl4	H5	H6
C1		1.3182	1.3543	1.8353	2.0797	2.0856
C2	1.3182		2.3832	2.7697	1.0805	1.0770
F3	1.3543	2.3832		2.6551	2.6609	3.3460
Cl4	1.8353	2.7697	2.6551		3.7712	2.9111
H5	2.0797	1.0805	2.6609	3.7712		1.8621
H6	2.0856	1.0770	3.3460	2.9111	1.8621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.902	C1	C2	H6	120.761
C2	C1	F3	126.178	C2	C1	Cl4	122.012
F3	C1	Cl4	111.809	H5	C2	H6	119.336

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

using model chemistry: B2PLYP/3-21G

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	0.125
2	C	-0.417
3	F	-0.255
4	Cl	0.070
5	H	0.240
6	H	0.237

	x	y	z	Total
	-1.305	1.433	0.000	1.938
CHELPG
AIM
ESP

	x	y	z
x	4.171	-0.743	0.000
y	-0.743	6.237	0.000
z	0.000	0.000	1.346

<r²>	100.591
(<r²>)^1/2	10.029

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

using model chemistry: B2PLYP/3-21G

States and conformations

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