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	hartrees
Energy at 0K	-637.135813
Energy at 298.15K	-637.138016
HF Energy	-637.135813
Nuclear repulsion energy	148.482361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3180	0.44
2	A'	3114	3079	4.48
3	A'	1656	1637	159.91
4	A'	1352	1337	1.33
5	A'	1140	1128	186.71
6	A'	921	911	44.78
7	A'	674	666	46.17
8	A'	420	416	0.70
9	A'	360	356	0.01
10	A"	806	797	56.94
11	A"	692	684	0.04
12	A"	519	513	2.51

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.003	1.327
F3	1.289	0.830
Cl4	-0.163	-1.267
H5	-0.787	2.393
H6	-2.031	0.981

	C1	C2	F3	Cl4	H5	H6
C1		1.3283	1.3423	1.7302	2.0910	2.0977
C2	1.3283		2.3449	2.7263	1.0878	1.0849
F3	1.3423	2.3449		2.5505	2.5984	3.3233
Cl4	1.7302	2.7263	2.5505		3.7127	2.9225
H5	2.0910	1.0878	2.5984	3.7127		1.8821
H6	2.0977	1.0849	3.3233	2.9225	1.8821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.540	C1	C2	H6	120.412
C2	C1	F3	122.820	C2	C1	Cl4	125.584
F3	C1	Cl4	111.596	H5	C2	H6	120.048

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

using model chemistry: PBEPBEultrafine/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	0.483
2	C	-0.778
3	F	-0.226
4	Cl	-0.083
5	H	0.275
6	H	0.328

	x	y	z	Total
	-1.074	0.649	0.000	1.255
CHELPG
AIM
ESP

	x	y	z
x	6.403	-0.841	0.000
y	-0.841	8.223	0.000
z	0.000	0.000	4.650

<r²>	96.371
(<r²>)^1/2	9.817

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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