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	hartrees
Energy at 0K	-637.488510
Energy at 298.15K	-637.490838
HF Energy	-637.488510
Nuclear repulsion energy	149.970920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3175	0.48
2	A'	3203	3072	4.72
3	A'	1740	1669	171.16
4	A'	1407	1349	2.98
5	A'	1217	1167	197.34
6	A'	970	930	35.99
7	A'	707	678	46.72
8	A'	439	421	1.01
9	A'	375	360	0.04
10	A"	869	834	61.44
11	A"	729	700	0.06
12	A"	549	526	1.44

Atom	x (Å)	y (Å)
C1	0.000	0.454
C2	-1.005	1.303
F3	1.266	0.835
Cl4	-0.149	-1.257
H5	-0.803	2.364
H6	-2.022	0.950

	C1	C2	F3	Cl4	H5	H6
C1		1.3162	1.3223	1.7172	2.0720	2.0816
C2	1.3162		2.3190	2.6997	1.0794	1.0763
F3	1.3223	2.3190		2.5259	2.5725	3.2897
Cl4	1.7172	2.6997	2.5259		3.6793	2.8939
H5	2.0720	1.0794	2.5725	3.6793		1.8668
H6	2.0816	1.0763	3.2897	2.8939	1.8668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.416	C1	C2	H6	120.597
C2	C1	F3	123.026	C2	C1	Cl4	125.224
F3	C1	Cl4	111.750	H5	C2	H6	119.987

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

using model chemistry: mPW1PW91/cc-pVTZ

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	0.209
2	C	-0.278
3	F	-0.130
4	Cl	-0.072
5	H	0.135
6	H	0.137

	x	y	z	Total
	-1.044	0.663	0.000	1.237
CHELPG
AIM
ESP

	x	y	z
x	5.284	-0.869	0.000
y	-0.869	7.127	0.000
z	0.000	0.000	3.278

<r²>	94.568
(<r²>)^1/2	9.725

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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