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	hartrees
Energy at 0K	-698.242583
Energy at 298.15K	-698.244730
Nuclear repulsion energy	165.871303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3058	3031	25.20
2	A'	1271	1260	71.46
3	A'	1075	1065	235.41
4	A'	752	745	182.92
5	A'	576	570	8.27
6	A'	387	384	1.35
7	A"	1328	1316	23.45
8	A"	1097	1087	244.87
9	A"	350	347	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	-0.095	0.000
H2	-1.457	0.561	0.000
Cl3	0.900	0.934	0.000
F4	-0.577	-0.882	1.097
F5	-0.577	-0.882	-1.097

	C1	H2	Cl3	F4	F5
C1		1.0979	1.8004	1.3500	1.3500
H2	1.0979		2.3871	2.0150	2.0150
Cl3	1.8004	2.3871		2.5854	2.5854
F4	1.3500	2.0150	2.5854		2.1938
F5	1.3500	2.0150	2.5854	2.1938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.456	H2	C1	F4	110.378
H2	C1	Cl5	110.378	F3	C1	F4	109.468
F3	C1	Cl5	109.468	F4	C1	Cl5	108.677

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: PBEPBE/6-311G**

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	0.229
2	H	0.161
3	Cl	-0.081
4	F	-0.154
5	F	-0.154

	x	y	z	Total
	-1.345	0.682	0.000	1.508
CHELPG
AIM
ESP

	x	y	z
x	3.942	1.140	0.000
y	1.140	3.434	0.000
z	0.000	0.000	2.696

<r²>	92.664
(<r²>)^1/2	9.626

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)