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	hartrees
Energy at 0K	-637.361354
Energy at 298.15K	-637.363670
HF Energy	-637.361354
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3325	0.26
2	A'	3216	3216	4.19
3	A'	1763	1763	155.44
4	A'	1418	1418	4.54
5	A'	1234	1234	186.94
6	A'	981	981	28.18
7	A'	706	706	47.72
8	A'	440	440	1.08
9	A'	374	374	0.14
10	A"	863	863	58.61
11	A"	722	722	0.20
12	A"	550	550	0.39

Atom	x (Å)	y (Å)
C1	0.000	0.460
C2	-1.023	1.293
F3	1.255	0.849
Cl4	-0.134	-1.261
H5	-0.841	2.359
H6	-2.036	0.920

	C1	C2	F3	Cl4	H5	H6
C1		1.3190	1.3141	1.7264	2.0767	2.0874
C2	1.3190		2.3215	2.7037	1.0820	1.0795
F3	1.3141	2.3215		2.5261	2.5840	3.2925
Cl4	1.7264	2.7037	2.5261		3.6883	2.8935
H5	2.0767	1.0820	2.5840	3.6883		1.8709
H6	2.0874	1.0795	3.2925	2.8935	1.8709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.434	C1	C2	H6	120.668
C2	C1	F3	123.691	C2	C1	Cl4	124.662
F3	C1	Cl4	111.647	H5	C2	H6	119.898

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.322
2	C	-0.463
3	F	-0.086
4	Cl	-0.119
5	H	0.170
6	H	0.177

	x	y	z	Total
	-0.937	0.822	0.000	1.246
CHELPG
AIM
ESP

	x	y	z
x	5.115	-0.876	0.000
y	-0.876	6.822	0.000
z	0.000	0.000	2.952

<r²>	94.527
(<r²>)^1/2	9.722

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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