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	hartrees
Energy at 0K	-637.098257
Energy at 298.15K	-637.100559
HF Energy	-637.098257
Nuclear repulsion energy	149.413099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3182	0.25
2	A'	3226	3078	5.16
3	A'	1763	1682	158.53
4	A'	1415	1350	5.76
5	A'	1235	1179	207.88
6	A'	973	929	27.24
7	A'	708	676	49.23
8	A'	437	417	1.09
9	A'	376	359	0.10
10	A"	855	816	69.02
11	A"	728	695	0.53
12	A"	542	517	0.08

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.012	1.307
F3	1.269	0.840
Cl4	-0.147	-1.262
H5	-0.809	2.370
H6	-2.034	0.954

	C1	C2	F3	Cl4	H5	H6
C1		1.3225	1.3257	1.7240	2.0786	2.0939
C2	1.3225		2.3286	2.7105	1.0829	1.0803
F3	1.3257	2.3286		2.5342	2.5809	3.3045
Cl4	1.7240	2.7105	2.5342		3.6922	2.9106
H5	2.0786	1.0829	2.5809	3.6922		1.8719
H6	2.0939	1.0803	3.3045	2.9106	1.8719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.229	C1	C2	H6	120.927
C2	C1	F3	123.118	C2	C1	Cl4	125.149
F3	C1	Cl4	111.733	H5	C2	H6	119.845

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

using model chemistry: HSEh1PBE/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	0.226
2	C	-0.338
3	F	-0.240
4	Cl	0.027
5	H	0.163
6	H	0.162

	x	y	z	Total
	-1.009	0.802	0.000	1.289
CHELPG
AIM
ESP

	x	y	z
x	4.648	-0.857	0.000
y	-0.857	6.494	0.000
z	0.000	0.000	2.222

<r²>	94.992
(<r²>)^1/2	9.746

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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