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	hartrees
Energy at 0K	-637.516381
Energy at 298.15K	-637.518664
HF Energy	-637.516381
Nuclear repulsion energy	148.604366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3171	0.33
2	A'	3183	3073	4.43
3	A'	1714	1655	173.23
4	A'	1411	1362	2.74
5	A'	1184	1143	210.32
6	A'	955	922	51.28
7	A'	682	659	54.07
8	A'	433	418	0.58
9	A'	375	362	0.11
10	A"	868	838	64.05
11	A"	719	694	0.15
12	A"	529	510	1.75

Atom	x (Å)	y (Å)
C1	0.000	0.462
C2	-0.998	1.324
F3	1.281	0.837
Cl4	-0.161	-1.272
H5	-0.786	2.384
H6	-2.021	0.985

	C1	C2	F3	Cl4	H5	H6
C1		1.3184	1.3350	1.7413	2.0761	2.0875
C2	1.3184		2.3307	2.7271	1.0808	1.0779
F3	1.3350	2.3307		2.5545	2.5822	3.3057
Cl4	1.7413	2.7271	2.5545		3.7085	2.9243
H5	2.0761	1.0808	2.5822	3.7085		1.8660
H6	2.0875	1.0779	3.3057	2.9243	1.8660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.517	C1	C2	H6	120.855
C2	C1	F3	122.893	C2	C1	Cl4	125.510
F3	C1	Cl4	111.597	H5	C2	H6	119.629

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

using model chemistry: B3LYP/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
	-1.267	0.705	0.000	1.450
CHELPG
AIM
ESP

	x	y	z
x	5.118	-0.893	0.000
y	-0.893	7.004	0.000
z	0.000	0.000	3.182

<r²>	96.362
(<r²>)^1/2	9.816

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

using model chemistry: B3LYP/TZVP

States and conformations

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