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	hartrees
Energy at 0K	-637.409230
Energy at 298.15K	-637.411533
HF Energy	-637.409230
Nuclear repulsion energy	149.641204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3176	0.52
2	A'	3187	3076	4.75
3	A'	1718	1658	165.44
4	A'	1398	1350	2.07
5	A'	1194	1153	191.65
6	A'	959	926	40.97
7	A'	699	675	45.59
8	A'	435	420	0.93
9	A'	372	359	0.02
10	A"	860	830	58.40
11	A"	721	696	0.03
12	A"	541	522	2.42

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-1.000	1.312
F3	1.274	0.830
Cl4	-0.156	-1.259
H5	-0.791	2.373
H6	-2.020	0.964

	C1	C2	F3	Cl4	H5	H6
C1		1.3182	1.3280	1.7195	2.0758	2.0833
C2	1.3182		2.3241	2.7064	1.0805	1.0776
F3	1.3280	2.3241		2.5312	2.5774	3.2960
Cl4	1.7195	2.7064	2.5312		3.6867	2.9012
H5	2.0758	1.0805	2.5774	3.6867		1.8688
H6	2.0833	1.0776	3.2960	2.9012	1.8688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.529	C1	C2	H6	120.488
C2	C1	F3	122.867	C2	C1	Cl4	125.462
F3	C1	Cl4	111.671	H5	C2	H6	119.983

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

using model chemistry: B3PW91/aug-cc-pVTZ

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	0.573
2	C	-0.848
3	F	-0.244
4	Cl	-0.125
5	H	0.283
6	H	0.361

	x	y	z	Total
	-1.128	0.681	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	6.118	-0.864	0.000
y	-0.864	7.834	0.000
z	0.000	0.000	4.476

<r²>	95.017
(<r²>)^1/2	9.748

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

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

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