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	hartrees
Energy at 0K	-630.076295
Energy at 298.15K	-630.078280
HF Energy	-630.076295
Nuclear repulsion energy	144.060669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3577	3577	7.74
2	A'	3414	3414	53.33
3	A'	1818	1818	72.97
4	A'	1532	1532	4.59
5	A'	1316	1316	117.90
6	A'	1021	1021	6.59
7	A'	695	695	36.84
8	A'	407	407	0.60
9	A'	346	346	1.48
10	A"	854	854	37.21
11	A"	728	728	0.10
12	A"	505	505	1.47

Atom	x (Å)	y (Å)
C1	0.000	0.506
C2	-1.112	1.267
F3	1.275	0.963
Cl4	-0.098	-1.322
H5	-1.031	2.360
H6	-2.107	0.812

	C1	C2	F3	Cl4	H5	H6
C1		1.3476	1.3545	1.8303	2.1217	2.1290
C2	1.3476		2.4062	2.7803	1.0964	1.0938
F3	1.3545	2.4062		2.6660	2.6958	3.3852
Cl4	1.8303	2.7803	2.6660		3.7985	2.9308
H5	2.1217	1.0964	2.6958	3.7985		1.8854
H6	2.1290	1.0938	3.3852	2.9308	1.8854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.133	C1	C2	H6	121.045
C2	C1	F3	125.868	C2	C1	Cl4	121.316
F3	C1	Cl4	112.815	H5	C2	H6	118.822

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

using model chemistry: TPSSh/STO-3G

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	0.125
2	C	-0.174
3	F	-0.012
4	Cl	-0.133
5	H	0.094
6	H	0.101

	x	y	z	Total
	-0.166	1.773	0.000	1.780
CHELPG
AIM
ESP

	x	y	z
x	2.859	-0.529	0.000
y	-0.529	4.110	0.000
z	0.000	0.000	0.458

<r²>	99.848
(<r²>)^1/2	9.992

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

using model chemistry: TPSSh/STO-3G

States and conformations

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