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	hartrees
Energy at 0K	-636.998450
Energy at 298.15K	-637.000705
HF Energy	-636.998450
Nuclear repulsion energy	146.087834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3351	3204	0.32
2	A'	3242	3099	7.73
3	A'	1770	1692	133.63
4	A'	1454	1389	0.87
5	A'	1212	1158	189.63
6	A'	963	920	32.69
7	A'	662	633	52.33
8	A'	417	398	1.17
9	A'	362	346	0.55
10	A"	946	904	91.27
11	A"	729	697	0.96
12	A"	522	499	0.32

Atom	x (Å)	y (Å)
C1	0.000	0.479
C2	-0.993	1.350
F3	1.318	0.843
Cl4	-0.182	-1.294
H5	-0.776	2.411
H6	-2.023	1.024

	C1	C2	F3	Cl4	H5	H6
C1		1.3212	1.3670	1.7824	2.0816	2.0949
C2	1.3212		2.3660	2.7658	1.0826	1.0799
F3	1.3670	2.3660		2.6109	2.6153	3.3454
Cl4	1.7824	2.7658	2.6109		3.7519	2.9598
H5	2.0816	1.0826	2.6153	3.7519		1.8649
H6	2.0949	1.0799	3.3454	2.9598	1.8649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.654	C1	C2	H6	121.171
C2	C1	F3	123.310	C2	C1	Cl4	125.378
F3	C1	Cl4	111.312	H5	C2	H6	119.175

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

using model chemistry: PBE1PBE/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	0.097
2	C	-0.362
3	F	-0.286
4	Cl	0.134
5	H	0.212
6	H	0.206

	x	y	z	Total
	-1.586	1.171	0.000	1.972
CHELPG
AIM
ESP

	x	y	z
x	4.369	-0.747	0.000
y	-0.747	6.462	0.000
z	0.000	0.000	1.684

<r²>	98.909
(<r²>)^1/2	9.945

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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