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	hartrees
Energy at 0K	-637.456856
Energy at 298.15K	-637.459174
HF Energy	-637.456856
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3163	0.33
2	A'	3202	3063	4.60
3	A'	1743	1668	170.10
4	A'	1412	1351	1.97
5	A'	1214	1161	193.43
6	A'	970	928	41.65
7	A'	705	674	46.20
8	A'	439	420	0.97
9	A'	375	359	0.02
10	A"	869	832	58.70
11	A"	715	684	0.03
12	A"	543	519	2.87

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.001	1.309
F3	1.268	0.834
Cl4	-0.152	-1.260
H5	-0.798	2.369
H6	-2.019	0.956

	C1	C2	F3	Cl4	H5	H6
C1		1.3152	1.3234	1.7231	2.0724	2.0795
C2	1.3152		2.3191	2.7055	1.0793	1.0766
F3	1.3234	2.3191		2.5304	2.5743	3.2893
Cl4	1.7231	2.7055	2.5304		3.6859	2.8973
H5	2.0724	1.0793	2.5743	3.6859		1.8669
H6	2.0795	1.0766	3.2893	2.8973	1.8669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.549	C1	C2	H6	120.468
C2	C1	F3	123.022	C2	C1	Cl4	125.334
F3	C1	Cl4	111.644	H5	C2	H6	119.983

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

using model chemistry: wB97X-D/aug-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	0.583
2	C	-0.926
3	F	-0.258
4	Cl	-0.104
5	H	0.308
6	H	0.397

	x	y	z	Total
	-1.128	0.736	0.000	1.347
CHELPG
AIM
ESP

	x	y	z
x	6.117	-0.874	0.000
y	-0.874	7.750	0.000
z	0.000	0.000	4.512

<r²>	94.920
(<r²>)^1/2	9.743

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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