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	hartrees
Energy at 0K	-51.576851
Energy at 298.15K	-51.579020
HF Energy	-51.576851
Nuclear repulsion energy	58.255833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3172	1.33
2	A'	3188	3079	1.15
3	A'	1724	1665	155.90
4	A'	1391	1343	4.00
5	A'	1182	1142	238.16
6	A'	939	907	33.03
7	A'	680	657	49.58
8	A'	418	403	0.88
9	A'	356	344	0.04
10	A"	827	798	93.92
11	A"	700	676	0.56
12	A"	496	479	0.66

Atom	x (Å)	y (Å)
C1	0.000	0.459
C2	-1.039	1.333
F3	1.287	0.858
Cl4	-0.145	-1.285
H5	-0.828	2.406
H6	-2.068	0.972

	C1	C2	F3	Cl4	H5	H6
C1		1.3573	1.3476	1.7505	2.1159	2.1303
C2	1.3573		2.3744	2.7665	1.0941	1.0901
F3	1.3476	2.3744		2.5773	2.6220	3.3570
Cl4	1.7505	2.7665	2.5773		3.7544	2.9654
H5	2.1159	1.0941	2.6220	3.7544		1.8955
H6	2.1303	1.0901	3.3570	2.9654	1.8955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	118.952	C1	C2	H6	120.628
C2	C1	F3	122.757	C2	C1	Cl4	125.316
F3	C1	Cl4	111.927	H5	C2	H6	120.419

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

using model chemistry: B3LYP/CEP-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	0.168
2	C	-0.450
3	F	-0.099
4	Cl	-0.081
5	H	0.209
6	H	0.254

	x	y	z	Total
	-1.276	0.731	0.000	1.470
CHELPG
AIM
ESP

	x	y	z
x	4.805	-1.031	0.000
y	-1.031	6.863	0.000
z	0.000	0.000	2.395

<r²>	69.969
(<r²>)^1/2	8.365

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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