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	hartrees
Energy at 0K	-51.592223
Energy at 298.15K	-51.594481
HF Energy	-51.592223
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3294	0.72
2	A'	3185	3185	0.45
3	A'	1713	1713	185.48
4	A'	1409	1409	4.25
5	A'	1214	1214	225.47
6	A'	962	962	39.88
7	A'	704	704	50.25
8	A'	430	430	1.29
9	A'	370	370	0.09
10	A"	846	846	79.81
11	A"	711	711	0.34
12	A"	520	520	1.16

Atom	x (Å)	y (Å)
C1	0.000	0.460
C2	-1.009	1.325
F3	1.283	0.839
Cl4	-0.157	-1.272
H5	-0.798	2.391
H6	-2.034	0.975

	C1	C2	F3	Cl4	H5	H6
C1		1.3295	1.3382	1.7391	2.0892	2.0985
C2	1.3295		2.3432	2.7341	1.0857	1.0833
F3	1.3382	2.3432		2.5559	2.5958	3.3202
Cl4	1.7391	2.7341	2.5559		3.7186	2.9287
H5	2.0892	1.0857	2.5958	3.7186		1.8789
H6	2.0985	1.0833	3.3202	2.9287	1.8789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.436	C1	C2	H6	120.513
C2	C1	F3	122.888	C2	C1	Cl4	125.465
F3	C1	Cl4	111.647	H5	C2	H6	120.051

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

using model chemistry: wB97X-D/CEP-121G*

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	0.368
2	C	-0.538
3	F	-0.193
4	Cl	-0.074
5	H	0.214
6	H	0.223

	x	y	z	Total
	-1.221	0.748	0.000	1.432
CHELPG
AIM
ESP

	x	y	z
x	5.099	-0.965	0.000
y	-0.965	6.934	0.000
z	0.000	0.000	2.909

<r²>	68.861
(<r²>)^1/2	8.298

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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