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	hartrees
Energy at 0K	-637.114361
Energy at 298.15K	-637.116662
HF Energy	-637.114361
Nuclear repulsion energy	149.206655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3201	0.63
2	A'	3212	3089	5.77
3	A'	1743	1676	166.78
4	A'	1384	1331	1.55
5	A'	1197	1151	194.78
6	A'	952	915	38.39
7	A'	710	683	43.29
8	A'	432	416	1.42
9	A'	372	358	0.01
10	A"	869	836	59.68
11	A"	719	691	0.05
12	A"	535	515	2.32

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-0.999	1.324
F3	1.281	0.823
Cl4	-0.161	-1.260
H5	-0.781	2.389
H6	-2.026	0.975

	C1	C2	F3	Cl4	H5	H6
C1		1.3250	1.3337	1.7206	2.0881	2.0923
C2	1.3250		2.3344	2.7163	1.0876	1.0851
F3	1.3337	2.3344		2.5335	2.5899	3.3110
Cl4	1.7206	2.7163	2.5335		3.7019	2.9112
H5	2.0881	1.0876	2.5899	3.7019		1.8844
H6	2.0923	1.0851	3.3110	2.9112	1.8844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.551	C1	C2	H6	120.161
C2	C1	F3	122.808	C2	C1	Cl4	125.729
F3	C1	Cl4	111.463	H5	C2	H6	120.288

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

using model chemistry: PBE1PBE/aug-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	0.430
2	C	0.720
3	F	-0.463
4	Cl	-0.111
5	H	-0.305
6	H	-0.272

	x	y	z	Total
	-1.169	0.703	0.000	1.364
CHELPG
AIM
ESP

	x	y	z
x	6.024	-0.868	0.000
y	-0.868	7.749	0.000
z	0.000	0.000	4.371

<r²>	95.530
(<r²>)^1/2	9.774

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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