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	hartrees
Energy at 0K	-637.414593
Energy at 298.15K	-637.416850
HF Energy	-637.414593
Nuclear repulsion energy	148.503326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3169	0.11
2	A'	3209	3074	3.26
3	A'	1740	1667	145.78
4	A'	1430	1370	4.52
5	A'	1215	1164	196.52
6	A'	971	930	34.02
7	A'	688	659	52.68
8	A'	430	412	0.77
9	A'	372	356	0.14
10	A"	850	815	64.07
11	A"	724	694	0.56
12	A"	529	507	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.462
C2	-1.012	1.317
F3	1.277	0.844
Cl4	-0.152	-1.272
H5	-0.809	2.382
H6	-2.036	0.969

	C1	C2	F3	Cl4	H5	H6
C1		1.3252	1.3333	1.7400	2.0838	2.0982
C2	1.3252		2.3377	2.7282	1.0839	1.0812
F3	1.3333	2.3377		2.5531	2.5921	3.3155
Cl4	1.7400	2.7282	2.5531		3.7124	2.9280
H5	2.0838	1.0839	2.5921	3.7124		1.8707
H6	2.0982	1.0812	3.3155	2.9280	1.8707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.429	C1	C2	H6	121.029
C2	C1	F3	123.126	C2	C1	Cl4	125.210
F3	C1	Cl4	111.664	H5	C2	H6	119.541

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

using model chemistry: B3LYPultrafine/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	0.262
2	C	-0.385
3	F	-0.242
4	Cl	0.008
5	H	0.178
6	H	0.180

	x	y	z	Total
	-1.019	0.835	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	4.646	-0.844	0.000
y	-0.844	6.548	0.000
z	0.000	0.000	2.188

<r²>	96.026
(<r²>)^1/2	9.799

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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