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	hartrees
Energy at 0K	-629.928527
Energy at 298.15K	-629.930554
HF Energy	-629.928527
Nuclear repulsion energy	144.560292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3597	3183	9.98
2	A'	3432	3038	60.37
3	A'	1839	1628	76.49
4	A'	1526	1350	5.21
5	A'	1327	1175	119.47
6	A'	1024	906	6.44
7	A'	708	627	35.42
8	A'	414	366	0.69
9	A'	353	312	1.52
10	A"	883	782	40.73
11	A"	735	650	0.05
12	A"	516	457	1.42

Atom	x (Å)	y (Å)
C1	0.000	0.503
C2	-1.107	1.263
F3	1.272	0.958
Cl4	-0.099	-1.317
H5	-1.024	2.354
H6	-2.101	0.811

	C1	C2	F3	Cl4	H5	H6
C1		1.3432	1.3510	1.8223	2.1158	2.1238
C2	1.3432		2.3990	2.7699	1.0945	1.0919
F3	1.3510	2.3990		2.6558	2.6876	3.3767
Cl4	1.8223	2.7699	2.6558		3.7859	2.9219
H5	2.1158	1.0945	2.6876	3.7859		1.8820
H6	2.1238	1.0919	3.3767	2.9219	1.8820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.106	C1	C2	H6	121.081
C2	C1	F3	125.856	C2	C1	Cl4	121.357
F3	C1	Cl4	112.787	H5	C2	H6	118.813

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

using model chemistry: B3PW91/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	0.130
2	C	-0.192
3	F	-0.021
4	Cl	-0.131
5	H	0.104
6	H	0.110

	x	y	z	Total
	-0.262	1.767	0.000	1.786
CHELPG
AIM
ESP

	x	y	z
x	2.821	-0.536	0.000
y	-0.536	4.033	0.000
z	0.000	0.000	0.455

<r²>	99.241
(<r²>)^1/2	9.962

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

using model chemistry: B3PW91/STO-3G

States and conformations

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