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	hartrees
Energy at 0K	-637.393601
Energy at 298.15K	-637.395904
HF Energy	-637.393601
Nuclear repulsion energy	149.341352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3176	0.59
2	A'	3228	3073	5.61
3	A'	1746	1661	177.08
4	A'	1412	1344	2.73
5	A'	1214	1155	229.44
6	A'	965	918	39.34
7	A'	712	678	48.31
8	A'	437	416	1.33
9	A'	377	359	0.06
10	A"	870	828	76.03
11	A"	723	688	0.10
12	A"	537	511	1.91

Atom	x (Å)	y (Å)
C1	0.000	0.451
C2	-0.993	1.326
F3	1.281	0.820
Cl4	-0.164	-1.260
H5	-0.770	2.385
H6	-2.020	0.991

	C1	C2	F3	Cl4	H5	H6
C1		1.3233	1.3333	1.7191	2.0807	2.0905
C2	1.3233		2.3300	2.7156	1.0819	1.0796
F3	1.3333	2.3300		2.5327	2.5796	3.3053
Cl4	1.7191	2.7156	2.5327		3.6945	2.9175
H5	2.0807	1.0819	2.5796	3.6945		1.8718
H6	2.0905	1.0796	3.3053	2.9175	1.8718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.449	C1	C2	H6	120.573
C2	C1	F3	122.582	C2	C1	Cl4	125.901
F3	C1	Cl4	111.517	H5	C2	H6	119.978

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

using model chemistry: mPW1PW91/6-31+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	0.172
2	C	-0.434
3	F	-0.234
4	Cl	0.118
5	H	0.190
6	H	0.188

	x	y	z	Total
	-1.273	0.696	0.000	1.451
CHELPG
AIM
ESP

	x	y	z
x	5.302	-0.945	0.000
y	-0.945	7.056	0.000
z	0.000	0.000	3.486

<r²>	95.426
(<r²>)^1/2	9.769

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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