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	hartrees
Energy at 0K	-637.471594
Energy at 298.15K	-637.473843
HF Energy	-637.471594
Nuclear repulsion energy	148.323749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3192	0.08
2	A'	3188	3083	2.59
3	A'	1708	1652	154.17
4	A'	1400	1355	1.36
5	A'	1169	1131	181.80
6	A'	940	909	51.98
7	A'	689	666	46.67
8	A'	419	406	1.21
9	A'	362	350	0.03
10	A"	864	835	57.10
11	A"	714	691	0.11
12	A"	519	503	1.90

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-0.997	1.336
F3	1.294	0.822
Cl4	-0.169	-1.267
H5	-0.774	2.401
H6	-2.027	0.996

	C1	C2	F3	Cl4	H5	H6
C1		1.3296	1.3450	1.7317	2.0934	2.0978
C2	1.3296		2.3482	2.7320	1.0876	1.0852
F3	1.3450	2.3482		2.5504	2.6028	3.3261
Cl4	1.7317	2.7320	2.5504		3.7180	2.9286
H5	2.0934	1.0876	2.6028	3.7180		1.8823
H6	2.0978	1.0852	3.3261	2.9286	1.8823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.658	C1	C2	H6	120.282
C2	C1	F3	122.786	C2	C1	Cl4	125.856
F3	C1	Cl4	111.358	H5	C2	H6	120.060

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

using model chemistry: TPSSh/aug-cc-pVDZ

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	0.465
2	C	0.693
3	F	-0.453
4	Cl	-0.127
5	H	-0.304
6	H	-0.273

	x	y	z	Total
	-1.189	0.741	0.000	1.402
CHELPG
AIM
ESP

	x	y	z
x	6.134	-0.846	0.000
y	-0.846	7.916	0.000
z	0.000	0.000	4.416

<r²>	96.442
(<r²>)^1/2	9.821

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

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

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