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	hartrees
Energy at 0K	-637.146710
Energy at 298.15K	-637.149010
HF Energy	-637.146710
Nuclear repulsion energy	149.149400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3200	0.53
2	A'	3210	3088	5.46
3	A'	1740	1674	166.59
4	A'	1385	1332	1.40
5	A'	1193	1148	194.15
6	A'	951	915	39.87
7	A'	708	682	43.77
8	A'	432	416	1.38
9	A'	372	358	0.02
10	A"	871	838	59.36
11	A"	719	692	0.06
12	A"	535	514	2.31

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-0.998	1.324
F3	1.282	0.823
Cl4	-0.162	-1.261
H5	-0.780	2.390
H6	-2.026	0.978

	C1	C2	F3	Cl4	H5	H6
C1		1.3249	1.3345	1.7214	2.0876	2.0933
C2	1.3249		2.3351	2.7170	1.0876	1.0851
F3	1.3345	2.3351		2.5348	2.5898	3.3124
Cl4	1.7214	2.7170	2.5348		3.7024	2.9135
H5	2.0876	1.0876	2.5898	3.7024		1.8837
H6	2.0933	1.0851	3.3124	2.9135	1.8837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.516	C1	C2	H6	120.261
C2	C1	F3	122.809	C2	C1	Cl4	125.729
F3	C1	Cl4	111.461	H5	C2	H6	120.223

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	0.414
2	C	0.749
3	F	-0.454
4	Cl	-0.103
5	H	-0.318
6	H	-0.287

	x	y	z	Total
	-1.175	0.701	0.000	1.368
CHELPG
AIM
ESP

	x	y	z
x	6.036	-0.867	0.000
y	-0.867	7.771	0.000
z	0.000	0.000	4.380

<r²>	95.595
(<r²>)^1/2	9.777

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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