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	hartrees
Energy at 0K	-629.612071
Energy at 298.15K	-629.614101
HF Energy	-629.557385
Nuclear repulsion energy	144.311364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3617	3617	8.29
2	A'	3452	3452	50.75
3	A'	1817	1817	66.85
4	A'	1541	1541	4.73
5	A'	1333	1333	113.85
6	A'	1030	1030	6.76
7	A'	712	712	32.73
8	A'	411	411	0.98
9	A'	351	351	1.77
10	A"	890	890	34.05
11	A"	752	752	0.05
12	A"	509	509	2.23

Atom	x (Å)	y (Å)
C1	0.000	0.502
C2	-1.108	1.268
F3	1.275	0.959
Cl4	-0.100	-1.319
H5	-1.019	2.358
H6	-2.103	0.817

	C1	C2	F3	Cl4	H5	H6
C1		1.3473	1.3547	1.8232	2.1179	2.1268
C2	1.3473		2.4036	2.7759	1.0945	1.0921
F3	1.3547	2.4036		2.6606	2.6874	3.3815
Cl4	1.8232	2.7759	2.6606		3.7902	2.9282
H5	2.1179	1.0945	2.6874	3.7902		1.8846
H6	2.1268	1.0921	3.3815	2.9282	1.8846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.947	C1	C2	H6	121.000
C2	C1	F3	125.642	C2	C1	Cl4	121.492
F3	C1	Cl4	112.865	H5	C2	H6	119.053

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

using model chemistry: B2PLYP/STO-3G

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	0.146
2	C	-0.169
3	F	-0.039
4	Cl	-0.132
5	H	0.094
6	H	0.100

	x	y	z	Total
	-0.368	1.735	0.000	1.774
CHELPG
AIM
ESP

	x	y	z
x	2.805	-0.518	0.000
y	-0.518	4.022	0.000
z	0.000	0.000	0.439

<r²>	99.601
(<r²>)^1/2	9.980

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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