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	hartrees
Energy at 0K	-637.435922
Energy at 298.15K	-637.438186
HF Energy	-637.435922
Nuclear repulsion energy	149.208362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3183	0.11
2	A'	3192	3080	2.64
3	A'	1720	1659	142.74
4	A'	1415	1365	3.60
5	A'	1201	1159	181.44
6	A'	966	932	31.34
7	A'	686	662	49.83
8	A'	425	410	0.97
9	A'	362	349	0.17
10	A"	846	816	55.73
11	A"	726	701	0.23
12	A"	539	520	0.16

Atom	x (Å)	y (Å)
C1	0.000	0.460
C2	-1.023	1.302
F3	1.267	0.846
Cl4	-0.140	-1.264
H5	-0.837	2.368
H6	-2.038	0.935

	C1	C2	F3	Cl4	H5	H6
C1		1.3251	1.3242	1.7301	2.0837	2.0927
C2	1.3251		2.3353	2.7138	1.0824	1.0795
F3	1.3242	2.3353		2.5360	2.5973	3.3064
Cl4	1.7301	2.7138	2.5360		3.6987	2.9044
H5	2.0837	1.0824	2.5973	3.6987		1.8705
H6	2.0927	1.0795	3.3064	2.9044	1.8705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.540	C1	C2	H6	120.646
C2	C1	F3	123.643	C2	C1	Cl4	124.787
F3	C1	Cl4	111.570	H5	C2	H6	119.814

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

using model chemistry: TPSSh/6-31G(2df,p)

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	0.312
2	C	-0.454
3	F	-0.087
4	Cl	-0.113
5	H	0.167
6	H	0.174

	x	y	z	Total
	-0.905	0.827	0.000	1.226
CHELPG
AIM
ESP

	x	y	z
x	5.164	-0.849	0.000
y	-0.849	6.962	0.000
z	0.000	0.000	2.963

<r²>	95.126
(<r²>)^1/2	9.753

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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