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	hartrees
Energy at 0K	-637.019250
Energy at 298.15K	-637.021425
HF Energy	-637.019250
Nuclear repulsion energy	147.937545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3191	0.10
2	A'	3144	3092	3.66
3	A'	1688	1660	146.01
4	A'	1380	1357	4.16
5	A'	1180	1161	200.48
6	A'	940	925	27.69
7	A'	673	662	51.61
8	A'	420	413	0.57
9	A'	363	357	0.10
10	A"	786	773	67.15
11	A"	695	684	0.58
12	A"	516	507	0.05

Atom	x (Å)	y (Å)
C1	0.000	0.461
C2	-1.026	1.316
F3	1.280	0.852
Cl4	-0.146	-1.275
H5	-0.830	2.389
H6	-2.054	0.956

	C1	C2	F3	Cl4	H5	H6
C1		1.3354	1.3387	1.7421	2.0991	2.1129
C2	1.3354		2.3530	2.7358	1.0916	1.0890
F3	1.3387	2.3530		2.5606	2.6110	3.3363
Cl4	1.7421	2.7358	2.5606		3.7274	2.9353
H5	2.0991	1.0916	2.6110	3.7274		1.8853
H6	2.1129	1.0890	3.3363	2.9353	1.8853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.402	C1	C2	H6	120.934
C2	C1	F3	123.268	C2	C1	Cl4	124.964
F3	C1	Cl4	111.768	H5	C2	H6	119.664

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

using model chemistry: PBEPBEultrafine/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	0.214
2	C	-0.405
3	F	-0.205
4	Cl	0.023
5	H	0.185
6	H	0.187

	x	y	z	Total
	-0.873	0.811	0.000	1.192
CHELPG
AIM
ESP

	x	y	z
x	4.781	-0.825	0.000
y	-0.825	6.725	0.000
z	0.000	0.000	2.225

<r²>	96.536
(<r²>)^1/2	9.825

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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