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	hartrees
Energy at 0K	-637.347008
Energy at 298.15K	-637.349192
HF Energy	-637.347008
Nuclear repulsion energy	147.871089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3199	0.07
2	A'	3150	3095	2.69
3	A'	1668	1639	167.88
4	A'	1378	1355	3.11
5	A'	1145	1125	217.59
6	A'	925	909	55.21
7	A'	666	655	56.13
8	A'	420	413	0.46
9	A'	368	361	0.05
10	A"	807	793	70.54
11	A"	693	681	0.17
12	A"	507	498	1.58

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.002	1.337
F3	1.296	0.830
Cl4	-0.167	-1.272
H5	-0.780	2.401
H6	-2.032	0.998

	C1	C2	F3	Cl4	H5	H6
C1		1.3342	1.3492	1.7369	2.0958	2.1030
C2	1.3342		2.3538	2.7400	1.0869	1.0846
F3	1.3492	2.3538		2.5616	2.6046	3.3328
Cl4	1.7369	2.7400	2.5616		3.7247	2.9381
H5	2.0958	1.0869	2.6046	3.7247		1.8804
H6	2.1030	1.0846	3.3328	2.9381	1.8804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.569	C1	C2	H6	120.441
C2	C1	F3	122.606	C2	C1	Cl4	125.799
F3	C1	Cl4	111.595	H5	C2	H6	119.990

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

using model chemistry: B97D3/6-31+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	0.195
2	C	-0.413
3	F	-0.228
4	Cl	0.099
5	H	0.174
6	H	0.172

	x	y	z	Total
	-1.228	0.674	0.000	1.401
CHELPG
AIM
ESP

	x	y	z
x	5.567	-0.922	0.000
y	-0.922	7.418	0.000
z	0.000	0.000	3.663

<r²>	97.003
(<r²>)^1/2	9.849

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

using model chemistry: B97D3/6-31+G**

States and conformations

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