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	hartrees
Energy at 0K	-637.062324
Energy at 298.15K	-637.064621
HF Energy	-637.062324
Nuclear repulsion energy	149.437060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3172	0.19
2	A'	3235	3074	4.63
3	A'	1766	1679	157.14
4	A'	1428	1357	5.39
5	A'	1243	1182	208.57
6	A'	980	931	27.48
7	A'	711	676	49.14
8	A'	438	416	1.11
9	A'	376	357	0.10
10	A"	856	814	73.60
11	A"	730	694	0.49
12	A"	543	516	0.08

Atom	x (Å)	y (Å)
C1	0.000	0.455
C2	-1.014	1.305
F3	1.267	0.841
Cl4	-0.145	-1.262
H5	-0.815	2.370
H6	-2.036	0.952

	C1	C2	F3	Cl4	H5	H6
C1		1.3231	1.3248	1.7234	2.0809	2.0958
C2	1.3231		2.3284	2.7099	1.0838	1.0812
F3	1.3248	2.3284		2.5334	2.5833	3.3055
Cl4	1.7234	2.7099	2.5334		3.6932	2.9114
H5	2.0809	1.0838	2.5833	3.6932		1.8718
H6	2.0958	1.0812	3.3055	2.9114	1.8718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.339	C1	C2	H6	120.990
C2	C1	F3	123.121	C2	C1	Cl4	125.116
F3	C1	Cl4	111.763	H5	C2	H6	119.671

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

using model chemistry: PBE1PBE/6-31G*

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	0.245
2	C	-0.449
3	F	-0.240
4	Cl	0.028
5	H	0.208
6	H	0.208

	x	y	z	Total
	-1.008	0.807	0.000	1.292
CHELPG
AIM
ESP

	x	y	z
x	4.623	-0.861	0.000
y	-0.861	6.455	0.000
z	0.000	0.000	2.198

<r²>	94.975
(<r²>)^1/2	9.745

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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