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	hartrees
Energy at 0K	-696.938776
Energy at 298.15K	-696.941169
HF Energy	-696.938776
Nuclear repulsion energy	170.071542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3011	18.96
2	A'	1467	1330	97.14
3	A'	1245	1128	270.60
4	A'	877	795	169.22
5	A'	657	596	8.75
6	A'	450	408	0.32
7	A"	1523	1380	26.59
8	A"	1288	1167	247.34
9	A"	398	361	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.568	-0.075	0.000
H2	-1.433	0.557	0.000
Cl3	0.886	0.905	0.000
F4	-0.568	-0.861	1.059
F5	-0.568	-0.861	-1.059

	C1	H2	Cl3	F4	F5
C1		1.0715	1.7534	1.3183	1.3183
H2	1.0715		2.3453	1.9695	1.9695
Cl3	1.7534	2.3453		2.5203	2.5203
F4	1.3183	1.9695	2.5203		2.1175
F5	1.3183	1.9695	2.5203	2.1175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.887	H2	C1	F4	110.574
H2	C1	Cl5	110.574	F3	C1	F4	109.449
F3	C1	Cl5	109.449	F4	C1	Cl5	106.852

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: HF/Def2TZVPP

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	0.500
2	H	0.057
3	Cl	-0.100
4	F	-0.228
5	F	-0.228

	x	y	z	Total
	-1.217	1.008	0.000	1.580
CHELPG
AIM
ESP

	x	y	z
x	3.973	0.722	0.000
y	0.722	3.634	0.000
z	0.000	0.000	3.188

<r²>	89.003
(<r²>)^1/2	9.434

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)