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	hartrees
Energy at 0K	-637.353365
Energy at 298.15K	-637.355569
HF Energy	-637.353365
Nuclear repulsion energy	145.137981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3194	0.10
2	A'	3216	3094	5.77
3	A'	1742	1676	125.63
4	A'	1452	1397	0.55
5	A'	1188	1143	177.11
6	A'	948	912	40.36
7	A'	640	615	55.31
8	A'	409	393	0.73
9	A'	355	341	0.60
10	A"	931	895	79.57
11	A"	722	694	0.89
12	A"	506	487	0.14

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	-0.996	1.358
F3	1.325	0.852
Cl4	-0.185	-1.305
H5	-0.781	2.420
H6	-2.026	1.033

	C1	C2	F3	Cl4	H5	H6
C1		1.3236	1.3746	1.8014	2.0851	2.0984
C2	1.3236		2.3761	2.7843	1.0831	1.0802
F3	1.3746	2.3761		2.6329	2.6262	3.3563
Cl4	1.8014	2.7843	2.6329		3.7725	2.9759
H5	2.0851	1.0831	2.6262	3.7725		1.8639
H6	2.0984	1.0802	3.3563	2.9759	1.8639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.741	C1	C2	H6	121.270
C2	C1	F3	123.420	C2	C1	Cl4	125.296
F3	C1	Cl4	111.284	H5	C2	H6	118.989

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

using model chemistry: B3LYP/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	0.120
2	C	-0.299
3	F	-0.280
4	Cl	0.105
5	H	0.179
6	H	0.175

	x	y	z	Total
	-1.561	1.201	0.000	1.970
CHELPG
AIM
ESP

	x	y	z
x	4.409	-0.734	0.000
y	-0.734	6.589	0.000
z	0.000	0.000	1.672

<r²>	100.046
(<r²>)^1/2	10.002

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

using model chemistry: B3LYP/6-31G

States and conformations

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