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	hartrees
Energy at 0K	-636.950967
Energy at 298.15K	-636.953169
HF Energy	-636.832579
Nuclear repulsion energy	144.809175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3340	3340	0.06
2	A'	3233	3233	5.03
3	A'	1733	1733	114.67
4	A'	1467	1467	0.48
5	A'	1195	1195	167.51
6	A'	950	950	41.87
7	A'	641	641	50.42
8	A'	408	408	1.07
9	A'	354	354	0.68
10	A"	930	930	79.66
11	A"	728	728	1.23
12	A"	500	500	0.03

Atom	x (Å)	y (Å)
C1	0.000	0.485
C2	-0.991	1.368
F3	1.333	0.847
Cl4	-0.192	-1.307
H5	-0.766	2.427
H6	-2.023	1.049

	C1	C2	F3	Cl4	H5	H6
C1		1.3274	1.3815	1.8022	2.0873	2.1000
C2	1.3274		2.3819	2.7917	1.0823	1.0796
F3	1.3815	2.3819		2.6394	2.6270	3.3620
Cl4	1.8022	2.7917	2.6394		3.7774	2.9840
H5	2.0873	1.0823	2.6270	3.7774		1.8643
H6	2.1000	1.0796	3.3620	2.9840	1.8643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.693	C1	C2	H6	121.144
C2	C1	F3	123.104	C2	C1	Cl4	125.582
F3	C1	Cl4	111.315	H5	C2	H6	119.163

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

using model chemistry: B2PLYP/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	0.143
2	C	-0.314
3	F	-0.301
4	Cl	0.105
5	H	0.186
6	H	0.181

	x	y	z	Total
	-1.650	1.182	0.000	2.030
CHELPG
AIM
ESP

	x	y	z
x	4.368	-0.691	0.000
y	-0.691	6.535	0.000
z	0.000	0.000	1.646

<r²>	100.582
(<r²>)^1/2	10.029

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

using model chemistry: B2PLYP/6-31G

States and conformations

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