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	hartrees
Energy at 0K	-637.493684
Energy at 298.15K	-637.495953
HF Energy	-637.493684
Nuclear repulsion energy	148.696043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3168	0.23
2	A'	3178	3071	2.20
3	A'	1720	1662	163.88
4	A'	1417	1369	3.53
5	A'	1193	1153	207.29
6	A'	962	930	48.80
7	A'	682	659	57.05
8	A'	431	417	0.80
9	A'	374	361	0.03
10	A"	853	825	71.56
11	A"	724	700	0.33
12	A"	528	510	0.99

Atom	x (Å)	y (Å)
C1	0.000	0.462
C2	-1.009	1.314
F3	1.278	0.842
Cl4	-0.153	-1.270
H5	-0.806	2.378
H6	-2.032	0.969

	C1	C2	F3	Cl4	H5	H6
C1		1.3204	1.3329	1.7389	2.0783	2.0938
C2	1.3204		2.3344	2.7221	1.0825	1.0796
F3	1.3329	2.3344		2.5513	2.5884	3.3115
Cl4	1.7389	2.7221	2.5513		3.7056	2.9224
H5	2.0783	1.0825	2.5884	3.7056		1.8670
H6	2.0938	1.0796	3.3115	2.9224	1.8670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.419	C1	C2	H6	121.154
C2	C1	F3	123.239	C2	C1	Cl4	125.130
F3	C1	Cl4	111.631	H5	C2	H6	119.427

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

using model chemistry: B3LYPultrafine/6-311G*

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	0.189
2	C	-0.451
3	F	-0.182
4	Cl	-0.040
5	H	0.242
6	H	0.243

	x	y	z	Total
	-1.204	0.834	0.000	1.465
CHELPG
AIM
ESP

	x	y	z
x	4.714	-0.871	0.000
y	-0.871	6.898	0.000
z	0.000	0.000	2.373

<r²>	96.243
(<r²>)^1/2	9.810

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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