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	hartrees
Energy at 0K	-637.120048
Energy at 298.15K	-637.122249
HF Energy	-637.120048
Nuclear repulsion energy	148.013286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3186	0.47
2	A'	3119	3083	4.79
3	A'	1662	1643	173.12
4	A'	1358	1343	1.85
5	A'	1145	1132	216.48
6	A'	922	911	44.54
7	A'	670	662	52.36
8	A'	424	419	0.46
9	A'	366	362	0.07
10	A"	801	792	63.92
11	A"	689	681	0.14
12	A"	515	509	1.95

Atom	x (Å)	y (Å)
C1	0.000	0.461
C2	-1.009	1.325
F3	1.287	0.842
Cl4	-0.158	-1.274
H5	-0.800	2.393
H6	-2.038	0.977

	C1	C2	F3	Cl4	H5	H6
C1		1.3287	1.3422	1.7423	2.0916	2.1023
C2	1.3287		2.3465	2.7350	1.0889	1.0860
F3	1.3422	2.3465		2.5625	2.6005	3.3277
Cl4	1.7423	2.7350	2.5625		3.7234	2.9327
H5	2.0916	1.0889	2.6005	3.7234		1.8815
H6	2.1023	1.0860	3.3277	2.9327	1.8815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.481	C1	C2	H6	120.733
C2	C1	F3	122.938	C2	C1	Cl4	125.359
F3	C1	Cl4	111.703	H5	C2	H6	119.786

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

using model chemistry: PBEPBEultrafine/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	0.127
2	C	-0.282
3	F	-0.112
4	Cl	-0.036
5	H	0.150
6	H	0.153

	x	y	z	Total
	-1.139	0.642	0.000	1.307
CHELPG
AIM
ESP

	x	y	z
x	5.286	-0.871	0.000
y	-0.871	7.214	0.000
z	0.000	0.000	3.231

<r²>	96.882
(<r²>)^1/2	9.843

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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