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	hartrees
Energy at 0K	-637.108833
Energy at 298.15K	-637.111106
HF Energy	-636.917854
Nuclear repulsion energy	148.628921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3344	3185	0.28
2	A'	3236	3082	4.49
3	A'	1722	1640	157.53
4	A'	1426	1359	3.15
5	A'	1199	1142	210.31
6	A'	958	913	50.33
7	A'	704	670	46.48
8	A'	432	411	1.53
9	A'	375	358	0.08
10	A"	852	812	70.83
11	A"	722	688	0.20
12	A"	518	494	1.20

Atom	x (Å)	y (Å)
C1	0.000	0.451
C2	-0.985	1.341
F3	1.296	0.815
Cl4	-0.176	-1.265
H5	-0.749	2.395
H6	-2.014	1.018

	C1	C2	F3	Cl4	H5	H6
C1		1.3274	1.3457	1.7251	2.0832	2.0920
C2	1.3274		2.3408	2.7287	1.0804	1.0783
F3	1.3457	2.3408		2.5475	2.5842	3.3158
Cl4	1.7251	2.7287	2.5475		3.7047	2.9307
H5	2.0832	1.0804	2.5842	3.7047		1.8702
H6	2.0920	1.0783	3.3158	2.9307	1.8702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.449	C1	C2	H6	120.469
C2	C1	F3	122.245	C2	C1	Cl4	126.242
F3	C1	Cl4	111.513	H5	C2	H6	120.081

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

using model chemistry: B2PLYP/6-31+G**

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	0.228
2	C	-0.383
3	F	-0.269
4	Cl	0.088
5	H	0.169
6	H	0.167

	x	y	z	Total
	-1.347	0.667	0.000	1.503
CHELPG
AIM
ESP

	x	y	z
x	5.328	-0.902	0.000
y	-0.902	7.090	0.000
z	0.000	0.000	3.544

<r²>	96.403
(<r²>)^1/2	9.819

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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