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	hartrees
Energy at 0K	-637.468322
Energy at 298.15K	-637.470506
HF Energy	-637.468322
Nuclear repulsion energy	147.885889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3181	0.20
2	A'	3101	3084	3.31
3	A'	1637	1628	151.92
4	A'	1371	1363	1.92
5	A'	1123	1117	166.15
6	A'	914	909	62.81
7	A'	656	653	49.35
8	A'	417	415	0.45
9	A'	363	361	0.03
10	A"	822	817	55.25
11	A"	693	689	0.09
12	A"	508	505	2.42

Atom	x (Å)	y (Å)
C1	0.000	0.458
C2	-0.995	1.339
F3	1.299	0.827
Cl4	-0.172	-1.273
H5	-0.773	2.402
H6	-2.026	1.010

	C1	C2	F3	Cl4	H5	H6
C1		1.3288	1.3500	1.7398	2.0915	2.0998
C2	1.3288		2.3502	2.7387	1.0856	1.0826
F3	1.3500	2.3502		2.5635	2.6023	3.3299
Cl4	1.7398	2.7387	2.5635		3.7235	2.9409
H5	2.0915	1.0856	2.6023	3.7235		1.8731
H6	2.0998	1.0826	3.3299	2.9409	1.8731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.716	C1	C2	H6	120.763
C2	C1	F3	122.641	C2	C1	Cl4	125.852
F3	C1	Cl4	111.507	H5	C2	H6	119.521

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.374
2	C	-0.260
3	F	-0.341
4	Cl	-0.114
5	H	0.167
6	H	0.174

	x	y	z	Total
	-1.166	0.645	0.000	1.332
CHELPG
AIM
ESP

	x	y	z
x	6.323	-0.849	0.000
y	-0.849	8.193	0.000
z	0.000	0.000	4.585

<r²>	97.205
(<r²>)^1/2	9.859

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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