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	hartrees
Energy at 0K	-637.516381
Energy at 298.15K	-637.518664
HF Energy	-637.516381
Nuclear repulsion energy	148.593210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3164	0.33
2	A'	3183	3066	4.44
3	A'	1714	1652	173.15
4	A'	1411	1359	2.71
5	A'	1184	1140	210.26
6	A'	955	920	51.60
7	A'	683	658	53.87
8	A'	434	418	0.61
9	A'	375	361	0.11
10	A"	868	836	63.87
11	A"	719	693	0.17
12	A"	529	509	1.75

Atom	x (Å)	y (Å)
C1	0.000	0.462
C2	-0.997	1.325
F3	1.282	0.836
Cl4	-0.162	-1.272
H5	-0.784	2.385
H6	-2.020	0.987

	C1	C2	F3	Cl4	H5	H6
C1		1.3183	1.3352	1.7415	2.0761	2.0873
C2	1.3183		2.3306	2.7277	1.0808	1.0779
F3	1.3352	2.3306		2.5546	2.5820	3.3056
Cl4	1.7415	2.7277	2.5546		3.7089	2.9249
H5	2.0761	1.0808	2.5820	3.7089		1.8661
H6	2.0873	1.0779	3.3056	2.9249	1.8661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.519	C1	C2	H6	120.836
C2	C1	F3	122.875	C2	C1	Cl4	125.547
F3	C1	Cl4	111.579	H5	C2	H6	119.645

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

using model chemistry: B3LYPultrafine/TZVP

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	0.171
2	C	-0.275
3	F	-0.152
4	Cl	-0.044
5	H	0.148
6	H	0.152

	x	y	z	Total
	-1.268	0.706	0.000	1.451
CHELPG
AIM
ESP

	x	y	z
x	5.116	-0.892	0.000
y	-0.892	7.006	0.000
z	0.000	0.000	3.182

<r²>	96.375
(<r²>)^1/2	9.817

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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