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	hartrees
Energy at 0K	-698.601003
Energy at 298.15K	-698.603146
HF Energy	-698.601003
Nuclear repulsion energy	165.539122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3069	3025	22.28
2	A'	1290	1271	68.61
3	A'	1062	1047	240.74
4	A'	744	733	185.57
5	A'	579	571	8.35
6	A'	385	380	2.03
7	A"	1344	1325	17.33
8	A"	1070	1055	271.88
9	A"	353	347	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	-0.101	0.000
H2	-1.459	0.542	0.000
Cl3	0.897	0.945	0.000
F4	-0.575	-0.889	1.097
F5	-0.575	-0.889	-1.097

	C1	H2	Cl3	F4	F5
C1		1.0934	1.8062	1.3507	1.3507
H2	1.0934		2.3907	2.0085	2.0085
Cl3	1.8062	2.3907		2.5953	2.5953
F4	1.3507	2.0085	2.5953		2.1938
F5	1.3507	2.0085	2.5953	2.1938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.563	H2	C1	F4	110.080
H2	C1	Cl5	110.080	F3	C1	F4	109.752
F3	C1	Cl5	109.752	F4	C1	Cl5	108.608

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B97D3/TZVP

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	0.223
2	H	0.131
3	Cl	-0.077
4	F	-0.138
5	F	-0.138

	x	y	z	Total
	-1.217	0.879	0.000	1.501
CHELPG
AIM
ESP

	x	y	z
x	4.136	0.996	0.000
y	0.996	3.785	0.000
z	0.000	0.000	3.151

<r²>	93.025
(<r²>)^1/2	9.645

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)