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	hartrees
Energy at 0K	-698.177418
Energy at 298.15K	-698.179560
Nuclear repulsion energy	165.618272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3037	3019	26.97
2	A'	1243	1236	66.72
3	A'	1085	1079	224.87
4	A'	753	748	162.69
5	A'	575	571	7.13
6	A'	387	385	1.05
7	A"	1311	1304	34.51
8	A"	1117	1110	222.54
9	A"	346	344	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	-0.096	0.000
H2	-1.464	0.569	0.000
Cl3	0.901	0.937	0.000
F4	-0.577	-0.884	1.098
F5	-0.577	-0.884	-1.098

	C1	H2	Cl3	F4	F5
C1		1.1085	1.8030	1.3513	1.3513
H2	1.1085		2.3935	2.0254	2.0254
Cl3	1.8030	2.3935		2.5892	2.5892
F4	1.3513	2.0254	2.5892		2.1956
F5	1.3513	2.0254	2.5892	2.1956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.214	H2	C1	F4	110.464
H2	C1	Cl5	110.464	F3	C1	F4	109.509
F3	C1	Cl5	109.509	F4	C1	Cl5	108.667

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: PBEPBE/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	0.275
2	H	0.075
3	Cl	-0.099
4	F	-0.126
5	F	-0.126

	x	y	z	Total
	-1.239	0.588	0.000	1.372
CHELPG
AIM
ESP

	x	y	z
x	3.775	0.999	0.000
y	0.999	3.323	0.000
z	0.000	0.000	2.666

<r²>	92.494
(<r²>)^1/2	9.617

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)