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	hartrees
Energy at 0K	-637.097924
Energy at 298.15K	-637.100232
HF Energy	-637.097924
Nuclear repulsion energy	149.333656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3203	1.12
2	A'	3213	3089	6.64
3	A'	1758	1691	171.60
4	A'	1379	1325	6.04
5	A'	1224	1176	208.53
6	A'	962	925	32.00
7	A'	707	680	48.17
8	A'	436	419	1.13
9	A'	375	360	0.10
10	A"	846	814	59.13
11	A"	724	696	0.15
12	A"	548	527	0.55

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.019	1.303
F3	1.268	0.843
Cl4	-0.143	-1.262
H5	-0.817	2.374
H6	-2.043	0.936

	C1	C2	F3	Cl4	H5	H6
C1		1.3252	1.3256	1.7234	2.0848	2.0983
C2	1.3252		2.3330	2.7099	1.0898	1.0871
F3	1.3256	2.3330		2.5335	2.5871	3.3118
Cl4	1.7234	2.7099	2.5335		3.6973	2.9047
H5	2.0848	1.0898	2.5871	3.6973		1.8889
H6	2.0983	1.0871	3.3118	2.9047	1.8889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.053	C1	C2	H6	120.558
C2	C1	F3	123.312	C2	C1	Cl4	124.960
F3	C1	Cl4	111.728	H5	C2	H6	120.389

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

using model chemistry: PBE1PBE/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	0.059
2	C	-0.022
3	F	-0.132
4	Cl	-0.047
5	H	0.070
6	H	0.072

	x	y	z	Total
	-0.989	0.680	0.000	1.201
CHELPG
AIM
ESP

	x	y	z
x	4.676	-0.863	0.000
y	-0.863	6.576	0.000
z	0.000	0.000	2.281

<r²>	95.137
(<r²>)^1/2	9.754

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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