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	hartrees
Energy at 0K	-698.178700
Energy at 298.15K	-698.180939
HF Energy	-698.178700
Nuclear repulsion energy	167.935721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3020	28.96
2	A'	1362	1294	92.79
3	A'	1167	1109	222.48
4	A'	816	776	164.26
5	A'	601	571	9.17
6	A'	411	391	0.17
7	A"	1415	1345	46.70
8	A"	1210	1150	203.30
9	A"	366	348	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.569	-0.092	0.000
H2	-1.446	0.557	0.000
Cl3	0.889	0.921	0.000
F4	-0.569	-0.870	1.085
F5	-0.569	-0.870	-1.085

	C1	H2	Cl3	F4	F5
C1		1.0912	1.7757	1.3346	1.3346
H2	1.0912		2.3633	1.9954	1.9954
Cl3	1.7757	2.3633		2.5514	2.5514
F4	1.3346	1.9954	2.5514		2.1692
F5	1.3346	1.9954	2.5514	2.1692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.685	H2	C1	F4	110.292
H2	C1	Cl5	110.292	F3	C1	F4	109.416
F3	C1	Cl5	109.416	F4	C1	Cl5	108.724

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: PBE1PBE/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	0.299
2	H	0.202
3	Cl	-0.030
4	F	-0.235
5	F	-0.235

	x	y	z	Total
	-1.313	0.651	0.000	1.466
CHELPG
AIM
ESP

	x	y	z
x	3.700	0.885	0.000
y	0.885	3.237	0.000
z	0.000	0.000	2.638

<r²>	90.367
(<r²>)^1/2	9.506

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)