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	hartrees
Energy at 0K	-637.086223
Energy at 298.15K	-637.088499
HF Energy	-636.902693
Nuclear repulsion energy	148.737155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3344	3174	0.06
2	A'	3241	3076	3.58
3	A'	1743	1654	137.46
4	A'	1443	1370	4.19
5	A'	1230	1167	193.86
6	A'	978	928	33.43
7	A'	702	666	48.06
8	A'	434	412	1.22
9	A'	375	356	0.14
10	A"	850	807	66.23
11	A"	733	695	0.72
12	A"	528	501	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.009	1.318
F3	1.280	0.839
Cl4	-0.155	-1.268
H5	-0.800	2.379
H6	-2.031	0.973

	C1	C2	F3	Cl4	H5	H6
C1		1.3262	1.3357	1.7310	2.0823	2.0961
C2	1.3262		2.3378	2.7225	1.0817	1.0793
F3	1.3357	2.3378		2.5489	2.5876	3.3139
Cl4	1.7310	2.7225	2.5489		3.7032	2.9227
H5	2.0823	1.0817	2.5876	3.7032		1.8690
H6	2.0961	1.0793	3.3139	2.9227	1.8690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.367	C1	C2	H6	120.897
C2	C1	F3	122.855	C2	C1	Cl4	125.356
F3	C1	Cl4	111.788	H5	C2	H6	119.736

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

using model chemistry: B2PLYP/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	0.272
2	C	-0.406
3	F	-0.258
4	Cl	0.013
5	H	0.189
6	H	0.190

	x	y	z	Total
	-1.081	0.806	0.000	1.348
CHELPG
AIM
ESP

	x	y	z
x	4.590	-0.814	0.000
y	-0.814	6.426	0.000
z	0.000	0.000	2.165

<r²>	95.832
(<r²>)^1/2	9.789

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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