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	hartrees
Energy at 0K	-637.507707
Energy at 298.15K	-637.510029
HF Energy	-637.507707
Nuclear repulsion energy	150.180921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3172	0.35
2	A'	3207	3069	4.56
3	A'	1744	1669	169.86
4	A'	1404	1343	3.17
5	A'	1218	1166	199.28
6	A'	968	926	35.43
7	A'	708	678	46.56
8	A'	436	418	1.20
9	A'	371	355	0.05
10	A"	871	833	60.28
11	A"	731	699	0.07
12	A"	548	525	1.26

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-1.001	1.304
F3	1.266	0.831
Cl4	-0.152	-1.255
H5	-0.796	2.362
H6	-2.017	0.952

	C1	C2	F3	Cl4	H5	H6
C1		1.3143	1.3216	1.7140	2.0686	2.0778
C2	1.3143		2.3166	2.6960	1.0777	1.0745
F3	1.3216	2.3166		2.5218	2.5687	3.2854
Cl4	1.7140	2.6960	2.5218		3.6735	2.8897
H5	2.0686	1.0777	2.5687	3.6735		1.8645
H6	2.0778	1.0745	3.2854	2.8897	1.8645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.390	C1	C2	H6	120.537
C2	C1	F3	123.008	C2	C1	Cl4	125.294
F3	C1	Cl4	111.698	H5	C2	H6	120.074

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

using model chemistry: B1B95/cc-pVTZ

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	0.215
2	C	-0.347
3	F	-0.129
4	Cl	-0.065
5	H	0.162
6	H	0.163

	x	y	z	Total
	-1.064	0.653	0.000	1.248
CHELPG
AIM
ESP

	x	y	z
x	5.269	-0.857	0.000
y	-0.857	7.119	0.000
z	0.000	0.000	3.261

<r²>	94.329
(<r²>)^1/2	9.712

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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