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	hartrees
Energy at 0K	-637.095064
Energy at 298.15K	-637.097358
HF Energy	-637.095064
Nuclear repulsion energy	149.392302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3174	0.14
2	A'	3234	3075	4.30
3	A'	1764	1678	156.34
4	A'	1428	1358	5.10
5	A'	1240	1179	208.17
6	A'	979	931	28.26
7	A'	709	674	49.55
8	A'	437	416	1.08
9	A'	376	358	0.11
10	A"	855	813	72.62
11	A"	730	694	0.52
12	A"	542	515	0.07

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.014	1.306
F3	1.268	0.841
Cl4	-0.146	-1.262
H5	-0.814	2.371
H6	-2.036	0.953

	C1	C2	F3	Cl4	H5	H6
C1		1.3229	1.3257	1.7240	2.0808	2.0955
C2	1.3229		2.3289	2.7104	1.0836	1.0810
F3	1.3257	2.3289		2.5347	2.5837	3.3059
Cl4	1.7240	2.7104	2.5347		3.6937	2.9116
H5	2.0808	1.0836	2.5837	3.6937		1.8714
H6	2.0955	1.0810	3.3059	2.9116	1.8714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.354	C1	C2	H6	120.990
C2	C1	F3	123.117	C2	C1	Cl4	125.118
F3	C1	Cl4	111.765	H5	C2	H6	119.656

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

using model chemistry: HSEh1PBE/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	0.246
2	C	-0.443
3	F	-0.240
4	Cl	0.027
5	H	0.205
6	H	0.206

	x	y	z	Total
	-1.012	0.804	0.000	1.292
CHELPG
AIM
ESP

	x	y	z
x	4.627	-0.858	0.000
y	-0.858	6.465	0.000
z	0.000	0.000	2.197

<r²>	95.019
(<r²>)^1/2	9.748

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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