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	hartrees
Energy at 0K	-637.112846
Energy at 298.15K	-637.115161
HF Energy	-637.112846
Nuclear repulsion energy	150.033964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3184	0.52
2	A'	3214	3078	5.16
3	A'	1753	1679	153.59
4	A'	1405	1345	5.78
5	A'	1228	1176	187.19
6	A'	974	933	25.50
7	A'	707	677	46.38
8	A'	438	419	1.16
9	A'	373	357	0.13
10	A"	858	821	57.76
11	A"	732	701	0.15
12	A"	553	530	0.31

Atom	x (Å)	y (Å)
C1	0.000	0.457
C2	-1.025	1.290
F3	1.255	0.847
Cl4	-0.134	-1.257
H5	-0.842	2.357
H6	-2.037	0.916

	C1	C2	F3	Cl4	H5	H6
C1		1.3203	1.3143	1.7196	2.0778	2.0884
C2	1.3203		2.3225	2.6985	1.0824	1.0795
F3	1.3143	2.3225		2.5210	2.5842	3.2932
Cl4	1.7196	2.6985	2.5210		3.6828	2.8893
H5	2.0778	1.0824	2.5842	3.6828		1.8720
H6	2.0884	1.0795	3.2932	2.8893	1.8720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.387	C1	C2	H6	120.636
C2	C1	F3	123.651	C2	C1	Cl4	124.651
F3	C1	Cl4	111.697	H5	C2	H6	119.977

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

using model chemistry: HSEh1PBE/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	0.303
2	C	-0.459
3	F	-0.080
4	Cl	-0.108
5	H	0.168
6	H	0.176

	x	y	z	Total
	-0.903	0.775	0.000	1.190
CHELPG
AIM
ESP

	x	y	z
x	5.103	-0.865	0.000
y	-0.865	6.836	0.000
z	0.000	0.000	2.953

<r²>	94.295
(<r²>)^1/2	9.711

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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