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	hartrees
Energy at 0K	-637.247390
Energy at 298.15K	-637.249655
HF Energy	-637.247390
Nuclear repulsion energy	146.204914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3349	0.81
2	A'	3243	3243	11.37
3	A'	1786	1786	122.79
4	A'	1456	1456	0.97
5	A'	1226	1226	185.09
6	A'	973	973	29.48
7	A'	669	669	48.44
8	A'	417	417	1.78
9	A'	356	356	0.78
10	A"	979	979	88.21
11	A"	743	743	0.93
12	A"	517	517	0.12

Atom	x (Å)	y (Å)
C1	0.000	0.479
C2	-0.989	1.350
F3	1.318	0.842
Cl4	-0.185	-1.293
H5	-0.766	2.409
H6	-2.018	1.025

	C1	C2	F3	Cl4	H5	H6
C1		1.3180	1.3666	1.7820	2.0761	2.0906
C2	1.3180		2.3622	2.7631	1.0816	1.0792
F3	1.3666	2.3622		2.6106	2.6073	3.3408
Cl4	1.7820	2.7631	2.6106		3.7472	2.9555
H5	2.0761	1.0816	2.6073	3.7472		1.8660
H6	2.0906	1.0792	3.3408	2.9555	1.8660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.475	C1	C2	H6	121.085
C2	C1	F3	123.247	C2	C1	Cl4	125.418
F3	C1	Cl4	111.335	H5	C2	H6	119.440

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

using model chemistry: M06-2X/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	0.105
2	C	-0.332
3	F	-0.304
4	Cl	0.130
5	H	0.203
6	H	0.198

	x	y	z	Total
	-1.688	1.199	0.000	2.070
CHELPG
AIM
ESP

	x	y	z
x	4.298	-0.738	0.000
y	-0.738	6.431	0.000
z	0.000	0.000	1.668

<r²>	98.870
(<r²>)^1/2	9.943

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

using model chemistry: M06-2X/6-31G

States and conformations

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