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	hartrees
Energy at 0K	-637.080150
Energy at 298.15K	-637.082466
HF Energy	-637.080150
Nuclear repulsion energy	150.073648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3182	0.63
2	A'	3214	3076	5.50
3	A'	1756	1680	153.96
4	A'	1404	1344	6.07
5	A'	1231	1178	187.19
6	A'	975	933	24.96
7	A'	709	678	45.79
8	A'	438	419	1.19
9	A'	372	356	0.13
10	A"	858	821	58.09
11	A"	732	700	0.12
12	A"	554	530	0.31

Atom	x (Å)	y (Å)
C1	0.000	0.457
C2	-1.025	1.290
F3	1.255	0.846
Cl4	-0.133	-1.257
H5	-0.842	2.357
H6	-2.037	0.915

	C1	C2	F3	Cl4	H5	H6
C1		1.3204	1.3139	1.7187	2.0782	2.0883
C2	1.3204		2.3220	2.6979	1.0827	1.0797
F3	1.3139	2.3220		2.5201	2.5839	3.2928
Cl4	1.7187	2.6979	2.5201		3.6824	2.8885
H5	2.0782	1.0827	2.5839	3.6824		1.8726
H6	2.0883	1.0797	3.2928	2.8885	1.8726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.394	C1	C2	H6	120.608
C2	C1	F3	123.628	C2	C1	Cl4	124.663
F3	C1	Cl4	111.709	H5	C2	H6	119.998

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

using model chemistry: PBE1PBE/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	0.302
2	C	-0.461
3	F	-0.082
4	Cl	-0.106
5	H	0.170
6	H	0.177

	x	y	z	Total
	-0.901	0.775	0.000	1.188
CHELPG
AIM
ESP

	x	y	z
x	5.098	-0.866	0.000
y	-0.866	6.826	0.000
z	0.000	0.000	2.957

<r²>	94.249
(<r²>)^1/2	9.708

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

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

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