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	hartrees
Energy at 0K	-637.125590
Energy at 298.15K	-637.127798
HF Energy	-637.125590
Nuclear repulsion energy	148.836748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3216	0.42
2	A'	3113	3113	4.61
3	A'	1655	1655	160.12
4	A'	1352	1352	1.27
5	A'	1142	1142	187.27
6	A'	922	922	43.05
7	A'	679	679	44.48
8	A'	423	423	0.82
9	A'	364	364	0.01
10	A"	807	807	57.36
11	A"	692	692	0.03
12	A"	519	519	2.76

Atom	x (Å)	y (Å)
C1	0.000	0.452
C2	-1.004	1.322
F3	1.286	0.828
Cl4	-0.160	-1.263
H5	-0.790	2.389
H6	-2.033	0.978

	C1	C2	F3	Cl4	H5	H6
C1		1.3286	1.3395	1.7224	2.0919	2.0995
C2	1.3286		2.3421	2.7195	1.0877	1.0848
F3	1.3395	2.3421		2.5424	2.5971	3.3214
Cl4	1.7224	2.7195	2.5424		3.7058	2.9201
H5	2.0919	1.0877	2.5971	3.7058		1.8800
H6	2.0995	1.0848	3.3214	2.9201	1.8800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.604	C1	C2	H6	120.558
C2	C1	F3	122.760	C2	C1	Cl4	125.588
F3	C1	Cl4	111.652	H5	C2	H6	119.838

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	0.376
2	C	-0.194
3	F	-0.346
4	Cl	-0.118
5	H	0.137
6	H	0.144

	x	y	z	Total
	-1.081	0.608	0.000	1.240
CHELPG
AIM
ESP

	x	y	z
x	6.274	-0.857	0.000
y	-0.857	8.076	0.000
z	0.000	0.000	4.545

<r²>	95.999
(<r²>)^1/2	9.798

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

States and conformations

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