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	hartrees
Energy at 0K	-630.012119
Energy at 298.15K	-630.014021
HF Energy	-630.012119
Nuclear repulsion energy	143.159035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3505	5.59
2	A'	3340	3340	47.26
3	A'	1772	1772	71.47
4	A'	1492	1492	4.65
5	A'	1277	1277	117.61
6	A'	998	998	5.93
7	A'	664	664	39.74
8	A'	400	400	0.52
9	A'	343	343	1.49
10	A"	808	808	37.30
11	A"	700	700	0.18
12	A"	485	485	1.49

Atom	x (Å)	y (Å)
C1	0.000	0.513
C2	-1.125	1.270
F3	1.278	0.975
Cl4	-0.093	-1.332
H5	-1.051	2.369
H6	-2.118	0.802

	C1	C2	F3	Cl4	H5	H6
C1		1.3559	1.3589	1.8470	2.1327	2.1379
C2	1.3559		2.4207	2.7990	1.1010	1.0982
F3	1.3589	2.4207		2.6834	2.7140	3.4005
Cl4	1.8470	2.7990	2.6834		3.8224	2.9420
H5	2.1327	1.1010	2.7140	3.8224		1.8955
H6	2.1379	1.0982	3.4005	2.9420	1.8955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.112	C1	C2	H6	120.828
C2	C1	F3	126.169	C2	C1	Cl4	121.065
F3	C1	Cl4	112.766	H5	C2	H6	119.060

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

using model chemistry: B97D3/STO-3G

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	0.133
2	C	-0.181
3	F	-0.008
4	Cl	-0.143
5	H	0.096
6	H	0.103

	x	y	z	Total
	-0.127	1.854	0.000	1.859
CHELPG
AIM
ESP

	x	y	z
x	2.911	-0.519	0.000
y	-0.519	4.223	0.000
z	0.000	0.000	0.474

<r²>	100.898
(<r²>)^1/2	10.045

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

using model chemistry: B97D3/STO-3G

States and conformations

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