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	hartrees
Energy at 0K	-634.044435
Energy at 298.15K	-634.046762
HF Energy	-634.044435
Nuclear repulsion energy	148.347867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3200	0.62
2	A'	3232	3102	7.15
3	A'	1757	1686	127.03
4	A'	1477	1418	2.07
5	A'	1243	1193	168.75
6	A'	993	953	23.97
7	A'	680	653	52.35
8	A'	425	408	0.88
9	A'	379	364	0.29
10	A"	947	909	101.65
11	A"	740	710	0.67
12	A"	558	535	0.68

Atom	x (Å)	y (Å)
C1	0.000	0.459
C2	-1.031	1.283
F3	1.293	0.865
Cl4	-0.150	-1.264
H5	-0.864	2.352
H6	-2.041	0.904

	C1	C2	F3	Cl4	H5	H6
C1		1.3192	1.3554	1.7302	2.0803	2.0892
C2	1.3192		2.3614	2.6950	1.0819	1.0794
F3	1.3554	2.3614		2.5721	2.6202	3.3349
Cl4	1.7302	2.6950	2.5721		3.6858	2.8770
H5	2.0803	1.0819	2.6202	3.6858		1.8663
H6	2.0892	1.0794	3.3349	2.8770	1.8663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.753	C1	C2	H6	120.824
C2	C1	F3	123.982	C2	C1	Cl4	123.643
F3	C1	Cl4	112.375	H5	C2	H6	119.423

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

using model chemistry: HSEh1PBE/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	0.165
2	C	-0.479
3	F	-0.261
4	Cl	0.064
5	H	0.258
6	H	0.253

	x	y	z	Total
	-1.264	0.818	0.000	1.506
CHELPG
AIM
ESP

	x	y	z
x	4.392	-0.824	0.000
y	-0.824	6.095	0.000
z	0.000	0.000	1.690

<r²>	96.079
(<r²>)^1/2	9.802

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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