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	hartrees
Energy at 0K	-637.019255
Energy at 298.15K	-637.021429
HF Energy	-637.019255
Nuclear repulsion energy	147.938121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3199	0.10
2	A'	3145	3100	3.65
3	A'	1688	1664	146.01
4	A'	1380	1360	4.15
5	A'	1180	1163	200.42
6	A'	940	926	27.58
7	A'	672	662	51.78
8	A'	420	414	0.56
9	A'	363	358	0.11
10	A"	786	775	67.13
11	A"	695	685	0.60
12	A"	516	508	0.06

Atom	x (Å)	y (Å)
C1	0.000	0.461
C2	-1.027	1.315
F3	1.280	0.852
Cl4	-0.146	-1.275
H5	-0.831	2.389
H6	-2.054	0.955

	C1	C2	F3	Cl4	H5	H6
C1		1.3353	1.3387	1.7422	2.0990	2.1129
C2	1.3353		2.3531	2.7355	1.0917	1.0890
F3	1.3387	2.3531		2.5607	2.6112	3.3364
Cl4	1.7422	2.7355	2.5607		3.7272	2.9350
H5	2.0990	1.0917	2.6112	3.7272		1.8853
H6	2.1129	1.0890	3.3364	2.9350	1.8853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.395	C1	C2	H6	120.943
C2	C1	F3	123.282	C2	C1	Cl4	124.943
F3	C1	Cl4	111.776	H5	C2	H6	119.662

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

using model chemistry: PBEPBE/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	0.214
2	C	-0.405
3	F	-0.205
4	Cl	0.023
5	H	0.185
6	H	0.187

	x	y	z	Total
	-0.873	0.811	0.000	1.192
CHELPG
AIM
ESP

	x	y	z
x	4.782	-0.825	0.000
y	-0.825	6.724	0.000
z	0.000	0.000	2.224

<r²>	96.534
(<r²>)^1/2	9.825

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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