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	hartrees
Energy at 0K	-637.310780
Energy at 298.15K	-637.313061
HF Energy	-637.310780
Nuclear repulsion energy	148.999436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3185	0.43
2	A'	3210	3082	5.16
3	A'	1730	1661	174.18
4	A'	1404	1348	2.60
5	A'	1199	1151	227.30
6	A'	957	918	41.17
7	A'	703	675	49.20
8	A'	433	416	1.16
9	A'	375	360	0.06
10	A"	858	824	74.36
11	A"	717	689	0.10
12	A"	531	510	1.78

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-0.994	1.329
F3	1.285	0.821
Cl4	-0.165	-1.263
H5	-0.770	2.389
H6	-2.022	0.995

	C1	C2	F3	Cl4	H5	H6
C1		1.3255	1.3368	1.7235	2.0844	2.0939
C2	1.3255		2.3350	2.7216	1.0834	1.0811
F3	1.3368	2.3350		2.5391	2.5851	3.3119
Cl4	1.7235	2.7216	2.5391		3.7022	2.9239
H5	2.0844	1.0834	2.5851	3.7022		1.8738
H6	2.0939	1.0811	3.3119	2.9239	1.8738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.489	C1	C2	H6	120.594
C2	C1	F3	122.575	C2	C1	Cl4	125.913
F3	C1	Cl4	111.512	H5	C2	H6	119.917

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

using model chemistry: B3PW91/6-31+G**

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	0.179
2	C	-0.425
3	F	-0.234
4	Cl	0.111
5	H	0.185
6	H	0.183

	x	y	z	Total
	-1.265	0.696	0.000	1.444
CHELPG
AIM
ESP

	x	y	z
x	5.335	-0.935	0.000
y	-0.935	7.114	0.000
z	0.000	0.000	3.491

<r²>	95.773
(<r²>)^1/2	9.786

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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