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	hartrees
Energy at 0K	-637.310702
Energy at 298.15K	-637.312999
HF Energy	-637.310702
Nuclear repulsion energy	149.358729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3160	0.52
2	A'	3232	3061	7.90
3	A'	1781	1687	149.03
4	A'	1431	1355	6.40
5	A'	1248	1182	205.89
6	A'	984	932	27.39
7	A'	705	668	50.78
8	A'	436	413	1.35
9	A'	371	351	0.14
10	A"	887	840	70.51
11	A"	741	702	0.41
12	A"	535	507	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.457
C2	-1.007	1.311
F3	1.270	0.837
Cl4	-0.151	-1.263
H5	-0.797	2.373
H6	-2.030	0.962

	C1	C2	F3	Cl4	H5	H6
C1		1.3206	1.3259	1.7269	2.0756	2.0915
C2	1.3206		2.3263	2.7131	1.0828	1.0804
F3	1.3259	2.3263		2.5357	2.5760	3.3023
Cl4	1.7269	2.7131	2.5357		3.6937	2.9124
H5	2.0756	1.0828	2.5760	3.6937		1.8737
H6	2.0915	1.0804	3.3023	2.9124	1.8737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.121	C1	C2	H6	120.851
C2	C1	F3	123.053	C2	C1	Cl4	125.290
F3	C1	Cl4	111.658	H5	C2	H6	120.028

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

using model chemistry: M06-2X/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	0.256
2	C	-0.425
3	F	-0.254
4	Cl	0.021
5	H	0.201
6	H	0.202

	x	y	z	Total
	-1.092	0.841	0.000	1.378
CHELPG
AIM
ESP

	x	y	z
x	4.573	-0.845	0.000
y	-0.845	6.474	0.000
z	0.000	0.000	2.200

<r²>	95.139
(<r²>)^1/2	9.754

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

using model chemistry: M06-2X/6-31G*

States and conformations

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