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	hartrees
Energy at 0K	-637.295853
Energy at 298.15K	-637.298128
HF Energy	-637.295853
Nuclear repulsion energy	149.062935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3178	0.09
2	A'	3220	3080	3.69
3	A'	1749	1673	153.80
4	A'	1425	1364	4.69
5	A'	1228	1175	206.45
6	A'	974	932	29.39
7	A'	701	670	50.56
8	A'	434	415	0.89
9	A'	374	358	0.10
10	A"	849	812	72.30
11	A"	725	693	0.47
12	A"	537	513	0.06

Atom	x (Å)	y (Å)
C1	0.000	0.457
C2	-1.016	1.308
F3	1.271	0.844
Cl4	-0.146	-1.266
H5	-0.817	2.374
H6	-2.038	0.956

	C1	C2	F3	Cl4	H5	H6
C1		1.3248	1.3283	1.7291	2.0835	2.0980
C2	1.3248		2.3330	2.7165	1.0841	1.0815
F3	1.3283	2.3330		2.5414	2.5885	3.3107
Cl4	1.7291	2.7165	2.5414		3.7007	2.9176
H5	2.0835	1.0841	2.5885	3.7007		1.8713
H6	2.0980	1.0815	3.3107	2.9176	1.8713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.409	C1	C2	H6	121.028
C2	C1	F3	123.121	C2	C1	Cl4	125.100
F3	C1	Cl4	111.779	H5	C2	H6	119.564

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

using model chemistry: B3PW91/6-31G*

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	0.249
2	C	-0.442
3	F	-0.239
4	Cl	0.023
5	H	0.204
6	H	0.204

	x	y	z	Total
	-1.014	0.814	0.000	1.300
CHELPG
AIM
ESP

	x	y	z
x	4.647	-0.856	0.000
y	-0.856	6.508	0.000
z	0.000	0.000	2.199

<r²>	95.337
(<r²>)^1/2	9.764

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

using model chemistry: B3PW91/6-31G*

States and conformations

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