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	hartrees
Energy at 0K	-637.516567
Energy at 298.15K	-637.518833
HF Energy	-637.516567
Nuclear repulsion energy	148.634687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3166	0.13
2	A'	3182	3066	3.39
3	A'	1707	1645	169.78
4	A'	1417	1365	3.22
5	A'	1182	1139	213.79
6	A'	953	918	51.36
7	A'	683	658	54.59
8	A'	428	413	0.69
9	A'	368	355	0.11
10	A"	852	822	62.43
11	A"	719	692	0.22
12	A"	527	508	1.50

Atom	x (Å)	y (Å)
C1	0.000	0.460
C2	-1.002	1.322
F3	1.282	0.837
Cl4	-0.159	-1.270
H5	-0.793	2.383
H6	-2.024	0.977

	C1	C2	F3	Cl4	H5	H6
C1		1.3216	1.3363	1.7369	2.0801	2.0893
C2	1.3216		2.3350	2.7250	1.0817	1.0789
F3	1.3363	2.3350		2.5524	2.5877	3.3093
Cl4	1.7369	2.7250	2.5524		3.7072	2.9198
H5	2.0801	1.0817	2.5877	3.7072		1.8691
H6	2.0893	1.0789	3.3093	2.9198	1.8691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.552	C1	C2	H6	120.662
C2	C1	F3	122.919	C2	C1	Cl4	125.437
F3	C1	Cl4	111.644	H5	C2	H6	119.786

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

using model chemistry: TPSSh/TZVP

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	0.177
2	C	-0.266
3	F	-0.138
4	Cl	-0.067
5	H	0.144
6	H	0.149

	x	y	z	Total
	-1.226	0.727	0.000	1.425
CHELPG
AIM
ESP

	x	y	z
x	5.124	-0.880	0.000
y	-0.880	7.006	0.000
z	0.000	0.000	3.148

<r²>	96.140
(<r²>)^1/2	9.805

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

using model chemistry: TPSSh/TZVP

States and conformations

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