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	hartrees
Energy at 0K	-637.130220
Energy at 298.15K	-637.132526
HF Energy	-637.130220
Nuclear repulsion energy	149.277947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3204	0.94
2	A'	3212	3089	6.26
3	A'	1756	1689	170.79
4	A'	1379	1326	5.53
5	A'	1220	1173	207.92
6	A'	961	924	32.92
7	A'	706	679	48.57
8	A'	435	419	1.09
9	A'	375	361	0.10
10	A"	847	814	58.48
11	A"	723	696	0.17
12	A"	547	526	0.56

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.018	1.304
F3	1.269	0.842
Cl4	-0.144	-1.262
H5	-0.816	2.375
H6	-2.042	0.938

	C1	C2	F3	Cl4	H5	H6
C1		1.3251	1.3266	1.7242	2.0848	2.0982
C2	1.3251		2.3337	2.7107	1.0897	1.0870
F3	1.3266	2.3337		2.5349	2.5875	3.3125
Cl4	1.7242	2.7107	2.5349		3.6981	2.9055
H5	2.0848	1.0897	2.5875	3.6981		1.8886
H6	2.0982	1.0870	3.3125	2.9055	1.8886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.064	C1	C2	H6	120.561
C2	C1	F3	123.300	C2	C1	Cl4	124.972
F3	C1	Cl4	111.728	H5	C2	H6	120.375

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.058
2	C	-0.020
3	F	-0.132
4	Cl	-0.047
5	H	0.069
6	H	0.071

	x	y	z	Total
	-0.993	0.676	0.000	1.201
CHELPG
AIM
ESP

	x	y	z
x	4.682	-0.862	0.000
y	-0.862	6.591	0.000
z	0.000	0.000	2.280

<r²>	95.193
(<r²>)^1/2	9.757

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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