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	hartrees
Energy at 0K	-637.435804
Energy at 298.15K	-637.438025
HF Energy	-637.435804
Nuclear repulsion energy	148.911037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3188	0.12
2	A'	3127	3087	2.57
3	A'	1655	1634	159.02
4	A'	1374	1357	2.05
5	A'	1143	1128	180.70
6	A'	929	917	54.01
7	A'	672	663	49.24
8	A'	426	420	0.50
9	A'	370	366	0.01
10	A"	816	805	56.68
11	A"	698	689	0.08
12	A"	518	512	2.50

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-1.006	1.318
F3	1.283	0.833
Cl4	-0.158	-1.263
H5	-0.799	2.382
H6	-2.029	0.969

	C1	C2	F3	Cl4	H5	H6
C1		1.3270	1.3382	1.7233	2.0883	2.0933
C2	1.3270		2.3394	2.7175	1.0835	1.0807
F3	1.3382	2.3394		2.5441	2.5948	3.3141
Cl4	1.7233	2.7175	2.5441		3.7014	2.9127
H5	2.0883	1.0835	2.5948	3.7014		1.8728
H6	2.0933	1.0807	3.3141	2.9127	1.8728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.730	C1	C2	H6	120.429
C2	C1	F3	122.745	C2	C1	Cl4	125.465
F3	C1	Cl4	111.790	H5	C2	H6	119.841

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.454
2	C	-0.260
3	F	-0.365
4	Cl	-0.119
5	H	0.142
6	H	0.149

	x	y	z	Total
	-1.098	0.625	0.000	1.263
CHELPG
AIM
ESP

	x	y	z
x	6.231	-0.869	0.000
y	-0.869	8.013	0.000
z	0.000	0.000	4.536

<r²>	95.825
(<r²>)^1/2	9.789

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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