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	hartrees
Energy at 0K	-637.431028
Energy at 298.15K	-637.433236
HF Energy	-637.431028
Nuclear repulsion energy	148.069145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3191	0.10
2	A'	3134	3089	2.81
3	A'	1664	1640	171.37
4	A'	1379	1359	2.89
5	A'	1145	1128	211.06
6	A'	928	915	54.88
7	A'	659	650	58.48
8	A'	425	418	0.19
9	A'	370	365	0.08
10	A"	808	796	61.73
11	A"	695	685	0.20
12	A"	514	506	1.60

Atom	x (Å)	y (Å)
C1	0.000	0.462
C2	-1.012	1.320
F3	1.284	0.848
Cl4	-0.155	-1.275
H5	-0.811	2.386
H6	-2.035	0.966

	C1	C2	F3	Cl4	H5	H6
C1		1.3267	1.3406	1.7442	2.0872	2.0960
C2	1.3267		2.3440	2.7329	1.0847	1.0818
F3	1.3406	2.3440		2.5649	2.5982	3.3205
Cl4	1.7442	2.7329	2.5649		3.7190	2.9249
H5	2.0872	1.0847	2.5982	3.7190		1.8744
H6	2.0960	1.0818	3.3205	2.9249	1.8744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.563	C1	C2	H6	120.636
C2	C1	F3	122.995	C2	C1	Cl4	125.173
F3	C1	Cl4	111.832	H5	C2	H6	119.801

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

using model chemistry: B97D3/TZVP

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	0.157
2	C	-0.268
3	F	-0.128
4	Cl	-0.050
5	H	0.142
6	H	0.146

	x	y	z	Total
	-1.163	0.674	0.000	1.344
CHELPG
AIM
ESP

	x	y	z
x	5.244	-0.882	0.000
y	-0.882	7.157	0.000
z	0.000	0.000	3.218

<r²>	96.732
(<r²>)^1/2	9.835

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

using model chemistry: B97D3/TZVP

States and conformations

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