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	hartrees
Energy at 0K	-637.252879
Energy at 298.15K	-637.255186
HF Energy	-637.005594
Nuclear repulsion energy	149.633869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3308	0.54
2	A'	3201	3201	4.49
3	A'	1705	1705	154.20
4	A'	1415	1415	2.18
5	A'	1196	1196	180.92
6	A'	962	962	45.56
7	A'	704	704	42.72
8	A'	437	437	1.28
9	A'	376	376	0.01
10	A"	866	866	56.62
11	A"	729	729	0.09
12	A"	534	534	2.17

Atom	x (Å)	y (Å)
C1	0.000	0.451
C2	-0.997	1.317
F3	1.276	0.826
Cl4	-0.159	-1.258
H5	-0.782	2.373
H6	-2.016	0.974

	C1	C2	F3	Cl4	H5	H6
C1		1.3210	1.3305	1.7160	2.0758	2.0831
C2	1.3210		2.3260	2.7080	1.0780	1.0753
F3	1.3305	2.3260		2.5307	2.5752	3.2960
Cl4	1.7160	2.7080	2.5307		3.6844	2.9036
H5	2.0758	1.0780	2.5752	3.6844		1.8658
H6	2.0831	1.0753	3.2960	2.9036	1.8658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.485	C1	C2	H6	120.407
C2	C1	F3	122.614	C2	C1	Cl4	125.672
F3	C1	Cl4	111.714	H5	C2	H6	120.109

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	0.382
2	C	-0.199
3	F	-0.394
4	Cl	-0.123
5	H	0.164
6	H	0.171

	x	y	z	Total
	-1.195	0.635	0.000	1.353
CHELPG
AIM
ESP

	x	y	z
x	5.992	-0.855	0.000
y	-0.855	7.680	0.000
z	0.000	0.000	4.394

<r²>	95.266
(<r²>)^1/2	9.760

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

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