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	hartrees
Energy at 0K	-637.497464
Energy at 298.15K	-637.499743
HF Energy	-637.497464
Nuclear repulsion energy	148.725651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3172	0.15
2	A'	3178	3073	4.02
3	A'	1718	1661	167.07
4	A'	1406	1359	3.30
5	A'	1186	1146	209.93
6	A'	957	925	45.16
7	A'	680	658	57.13
8	A'	431	417	0.76
9	A'	374	362	0.03
10	A"	862	834	65.62
11	A"	722	698	0.29
12	A"	529	512	1.07

Atom	x (Å)	y (Å)
C1	0.000	0.463
C2	-1.007	1.316
F3	1.278	0.840
Cl4	-0.155	-1.270
H5	-0.800	2.377
H6	-2.029	0.970

	C1	C2	F3	Cl4	H5	H6
C1		1.3202	1.3328	1.7390	2.0749	2.0913
C2	1.3202		2.3343	2.7224	1.0815	1.0785
F3	1.3328	2.3343		2.5505	2.5842	3.3094
Cl4	1.7390	2.7224	2.5505		3.7033	2.9201
H5	2.0749	1.0815	2.5842	3.7033		1.8687
H6	2.0913	1.0785	3.3094	2.9201	1.8687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.189	C1	C2	H6	121.016
C2	C1	F3	123.259	C2	C1	Cl4	125.163
F3	C1	Cl4	111.577	H5	C2	H6	119.795

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

using model chemistry: B3LYP/6-311G**

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	0.135
2	C	-0.203
3	F	-0.180
4	Cl	-0.039
5	H	0.143
6	H	0.144

	x	y	z	Total
	-1.195	0.831	0.000	1.455
CHELPG
AIM
ESP

	x	y	z
x	4.737	-0.869	0.000
y	-0.869	6.927	0.000
z	0.000	0.000	2.417

<r²>	96.198
(<r²>)^1/2	9.808

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

using model chemistry: B3LYP/6-311G**

States and conformations

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