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	hartrees
Energy at 0K	-637.414599
Energy at 298.15K	-637.416856
HF Energy	-637.414599
Nuclear repulsion energy	148.504789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3177	0.11
2	A'	3210	3082	3.26
3	A'	1740	1671	145.83
4	A'	1430	1373	4.52
5	A'	1214	1166	196.41
6	A'	971	932	33.92
7	A'	687	660	52.87
8	A'	430	413	0.75
9	A'	372	357	0.14
10	A"	850	817	64.09
11	A"	724	695	0.55
12	A"	529	508	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.462
C2	-1.013	1.317
F3	1.277	0.844
Cl4	-0.151	-1.272
H5	-0.810	2.382
H6	-2.036	0.968

	C1	C2	F3	Cl4	H5	H6
C1		1.3252	1.3333	1.7400	2.0838	2.0982
C2	1.3252		2.3379	2.7279	1.0839	1.0812
F3	1.3333	2.3379		2.5532	2.5923	3.3156
Cl4	1.7400	2.7279	2.5532		3.7122	2.9276
H5	2.0838	1.0839	2.5923	3.7122		1.8706
H6	2.0982	1.0812	3.3156	2.9276	1.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.426	C1	C2	H6	121.038
C2	C1	F3	123.142	C2	C1	Cl4	125.187
F3	C1	Cl4	111.672	H5	C2	H6	119.536

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

using model chemistry: B3LYP/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	0.262
2	C	-0.385
3	F	-0.242
4	Cl	0.008
5	H	0.178
6	H	0.180

	x	y	z	Total
	-1.019	0.835	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	4.647	-0.845	0.000
y	-0.845	6.547	0.000
z	0.000	0.000	2.188

<r²>	96.023
(<r²>)^1/2	9.799

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

using model chemistry: B3LYP/6-31G*

States and conformations

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