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	hartrees
Energy at 0K	-637.377749
Energy at 298.15K	-637.380057
HF Energy	-637.377749
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3174	0.82
2	A'	3214	3062	5.17
3	A'	1764	1680	171.84
4	A'	1391	1325	4.49
5	A'	1222	1164	207.38
6	A'	967	921	36.54
7	A'	703	669	50.77
8	A'	436	416	0.95
9	A'	377	359	0.13
10	A"	855	815	59.28
11	A"	719	685	0.25
12	A"	544	519	0.52

Atom	x (Å)	y (Å)
C1	0.000	0.460
C2	-1.020	1.304
F3	1.269	0.847
Cl4	-0.143	-1.266
H5	-0.823	2.376
H6	-2.042	0.935

	C1	C2	F3	Cl4	H5	H6
C1		1.3240	1.3263	1.7319	2.0849	2.0966
C2	1.3240		2.3339	2.7157	1.0895	1.0872
F3	1.3263	2.3339		2.5411	2.5906	3.3121
Cl4	1.7319	2.7157	2.5411		3.7046	2.9066
H5	2.0849	1.0895	2.5906	3.7046		1.8882
H6	2.0966	1.0872	3.3121	2.9066	1.8882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.179	C1	C2	H6	120.493
C2	C1	F3	123.432	C2	C1	Cl4	124.875
F3	C1	Cl4	111.693	H5	C2	H6	120.328

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.070
2	C	-0.030
3	F	-0.134
4	Cl	-0.050
5	H	0.072
6	H	0.073

	x	y	z	Total
	-1.033	0.752	0.000	1.278
CHELPG
AIM
ESP

	x	y	z
x	4.681	-0.881	0.000
y	-0.881	6.559	0.000
z	0.000	0.000	2.269

<r²>	95.465
(<r²>)^1/2	9.771

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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