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	hartrees
Energy at 0K	-632.339751
Energy at 298.15K	-632.342019
HF Energy	-632.339751
Nuclear repulsion energy	148.673133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3188	1.90
2	A'	3144	3087	12.77
3	A'	1726	1695	132.39
4	A'	1415	1390	7.39
5	A'	1219	1197	176.97
6	A'	968	950	14.31
7	A'	668	656	51.66
8	A'	420	412	0.67
9	A'	373	367	0.28
10	A"	880	864	103.06
11	A"	708	695	0.10
12	A"	553	543	1.76

Atom	x (Å)	y (Å)
C1	0.000	0.460
C2	-1.050	1.262
F3	1.278	0.879
Cl4	-0.132	-1.262
H5	-0.906	2.344
H6	-2.060	0.858

	C1	C2	F3	Cl4	H5	H6
C1		1.3211	1.3450	1.7269	2.0903	2.0983
C2	1.3211		2.3593	2.6858	1.0912	1.0885
F3	1.3450	2.3593		2.5632	2.6299	3.3385
Cl4	1.7269	2.6858	2.5632		3.6879	2.8655
H5	2.0903	1.0912	2.6299	3.6879		1.8819
H6	2.0983	1.0885	3.3385	2.8655	1.8819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.806	C1	C2	H6	120.797
C2	C1	F3	124.476	C2	C1	Cl4	123.008
F3	C1	Cl4	112.516	H5	C2	H6	119.397

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

using model chemistry: LSDA/3-21G*

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	0.113
2	C	-0.466
3	F	-0.204
4	Cl	0.064
5	H	0.248
6	H	0.245

	x	y	z	Total
	-1.024	0.812	0.000	1.307
CHELPG
AIM
ESP

	x	y	z
x	4.483	-0.789	0.000
y	-0.789	6.189	0.000
z	0.000	0.000	1.715

<r²>	95.646
(<r²>)^1/2	9.780

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

using model chemistry: LSDA/3-21G*

States and conformations

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